2,4-Dimethylaniline

Details

• Internal ID: 07ba5762-e872-40c4-a311-c6aa4a0967c2
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Xylenes > m-Xylenes
• IUPAC Name: 2,4-dimethylaniline
• InChI: InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3
• InChI Key: CZZZABOKJQXEBO-UHFFFAOYSA-N
• Popularity: 402 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₁₁N
• Molecular Weight: 121.18 g/mol
• Exact Mass: 121.089149355 g/mol
• Topological Polar Surface Area (TPSA): 26.00 Ų
• XlogP: 1.70

Synonyms

• 95-68-1
• 2,4-XYLIDINE
• m-Xylidine
• 1-Amino-2,4-dimethylbenzene
• m-4-Xylidine
• Benzenamine, 2,4-dimethyl-
• 2,4-Dimethylbenzenamine
• 2,4-Dimethylphenylamine
• 2-Methyl-p-toluidine
• 4-Methyl-o-toluidine
• 4-Amino-1,3-xylene
• 4-Amino-3-methyltoluene
• 4-Amino-1,3-dimethylbenzene
• meta-Xylidine
• Aniline, 2,4-dimethyl-
• 2,4-Xylylamine
• 2,4-Dimethylbenzeneamine
• 4-Amino-m-xylene
• DTXSID8026305
• CHEBI:27840
• NSC-7640
• 367R1L22C9
• DTXCID206305
• RefChem:82524
• 202-440-0
• 2,4-Dimethyl aniline
• 2,4-dimethyl-aniline
• MFCD00007738
• asym-m-xylidene
• 2,4-dimethyl-phenylamine
• NSC 7640
• 2,4-dimethylbenzene-1-amine
• MLS002302982
• SMR001307301
• m-Xylidine (VAN)
• 2,?4-?Dimethylaniline(2,4-Xylidine)
• CCRIS 254
• HSDB 2092
• EINECS 202-440-0
• BRN 0636243
• AI3-16558
• UNII-367R1L22C9
• 2,4 xylidine
• Aniline,4-dimethyl-
• Lidocaine Impurity 17
• 2,4-dimethylphenyl amine
• 2,4-Dimethylphenyl-amine
• (2,4-dimethylphenyl)amine
• EC 202-440-0
• cid_7250
• SCHEMBL33980
• 2,4-Dimethylaniline, 98%
• 4-12-00-02545 (Beilstein Handbook Reference)
• SCHEMBL654886
• WLN: ZR B1 D1
• SCHEMBL2881265
• SCHEMBL3126523
• SCHEMBL7090548
• SCHEMBL7993755
• 2,4-XYLIDINE [HSDB]
• 2,4-XYLIDINE [IARC]
• CHEMBL1490826
• SCHEMBL27808307
• SCHEMBL28148795
• SCHEMBL29366708
• 2,4-Dimethylaniline, >=99%
• BDBM74411
• MSK1223
• NSC7640
• HMS3039A03
• STR00897
• Tox21_200380
• SBB040487
• STK387111
• 2,4-Dimethylaniline (2,4-Xylidine)
• AKOS000119112
• CAS-95-68-1
• XYLIDINE 2,4-DIMETHYLBENZENAMINE
• 2,4-Dimethylaniline, analytical standard
• NCGC00091885-01
• NCGC00091885-02
• NCGC00091885-03
• NCGC00257934-01
• AC-10693
• ST088469
• 2,4-DIMETHYLANILINE [USP IMPURITY]
• DB-024294
• D0667
• NS00001078
• EN300-17981
• XYLIDINE 2,4-DIMETHYLBENZENAMINE [MI]
• 2,4-Dimethylaniline 10 microg/mL in Cyclohexane
• [2,4,5-tris(acetoxymethyl)cyclohexyl]methyl acetate
• 2,4-Dimethylaniline 100 microg/mL in Acetonitrile
• Z57127436
• F2190-0463
• InChI=1/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H
• 51S

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.62%	95.56%
CHEMBL2039	P27338	Monoamine oxidase B	86.99%	92.51%
CHEMBL3401	O75469	Pregnane X receptor	86.29%	94.73%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.04%	91.11%
CHEMBL4581	P52732	Kinesin-like protein 1	85.40%	93.18%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	83.15%	86.00%
CHEMBL1913	P09619	Platelet-derived growth factor receptor beta	82.36%	95.70%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.08%	86.33%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	80.61%	89.62%
CHEMBL3492	P49721	Proteasome Macropain subunit	80.40%	90.24%

Plants that contains it

• Foeniculum vulgare

Cross-Links

• PubChem: 7250
• NPASS: NPC111233
• ChEMBL: CHEMBL1490826