2,4-Dimethylaniline

Details

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Internal ID 07ba5762-e872-40c4-a311-c6aa4a0967c2
Taxonomy Benzenoids > Benzene and substituted derivatives > Xylenes > m-Xylenes
IUPAC Name 2,4-dimethylaniline
SMILES (Canonical) CC1=CC(=C(C=C1)N)C
SMILES (Isomeric) CC1=CC(=C(C=C1)N)C
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 404 references in papers

Physical and Chemical Properties

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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

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95-68-1
2,4-XYLIDINE
2,4-Dimethyl aniline
m-Xylidine
1-Amino-2,4-dimethylbenzene
m-4-Xylidine
Benzenamine, 2,4-dimethyl-
2,4-Dimethylbenzenamine
2,4-Dimethylphenylamine
2-Methyl-p-toluidine
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2,4-Dimethylaniline

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
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

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Foeniculum vulgare

Cross-Links

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PubChem 7250
NPASS NPC111233
ChEMBL CHEMBL1490826