(1H-Indol-3-yl)methanamine

Details

• Internal ID: 2fc6447c-2606-4806-ac7d-2825a6a16d09
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles
• IUPAC Name: 1H-indol-3-ylmethanamine
• SMILES (Canonical): C1=CC=C2C(=C1)C(=CN2)CN
• SMILES (Isomeric): C1=CC=C2C(=C1)C(=CN2)CN
• InChI: InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2
• InChI Key: JXYGLMATGAAIBU-UHFFFAOYSA-N
• Popularity: 42 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₀N₂
• Molecular Weight: 146.19 g/mol
• Exact Mass: 146.084398327 g/mol
• Topological Polar Surface Area (TPSA): 41.80 Ų
• XlogP: 0.80

Synonyms

• 22259-53-6
• 1H-indol-3-ylmethanamine
• 3-(aminomethyl)indole
• 1H-Indole-3-methanamine
• Indole-3-methanamine
• 1H-Indol-3-ylmethylamine
• Indol-3-ylmethylamine
• 3-aminomethylindole
• 3-Indoylmethanamine
• 1-(1H-indol-3-yl)methanamine
• CHEBI:65009
• MFCD01631210
• E4P3UW7XBF
• 1H-indol-3-ylmethyl amine
• Indole, 3-(aminomethyl)-
• CHEMBL6509
• C-(1H-Indol-3-yl)-methylamine
• 3-Indolylmethylamine
• 3-(aminomethyl) indole
• AMI
• UNII-E4P3UW7XBF
• 1H-indol-3-yl-methyl-amine
• SCHEMBL701395
• C-(1H-indol-3-yl)methylamine
• JXYGLMATGAAIBU-UHFFFAOYSA-
• DTXSID40332897
• JXYGLMATGAAIBU-UHFFFAOYSA-N
• CS-D1572
• BDBM50223899
• AKOS005203107
• AB09355
• SDCCGMLS-0065825.P001
• AC-29759
• AM803537
• DS-10421
• HY-33893
• SY026632
• BB 0253639
• FT-0607901
• C21601
• EN300-164849
• J-500193
• Q27133571
• F2113-0337
• InChI=1/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2
• LC9

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.26%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.05%	95.56%
CHEMBL3830	Q2M2I8	Adaptor-associated kinase	90.10%	83.10%
CHEMBL3310	Q96DB2	Histone deacetylase 11	89.13%	88.56%
CHEMBL3155	P34969	Serotonin 7 (5-HT7) receptor	88.91%	90.71%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	88.30%	89.62%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	87.47%	94.62%
CHEMBL2996	Q05655	Protein kinase C delta	86.69%	97.79%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.70%	96.09%
CHEMBL3192	Q9BY41	Histone deacetylase 8	83.61%	93.99%
CHEMBL4101	P17612	cAMP-dependent protein kinase alpha-catalytic subunit	82.89%	82.86%
CHEMBL2581	P07339	Cathepsin D	82.18%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	81.37%	97.09%
CHEMBL213	P08588	Beta-1 adrenergic receptor	80.55%	95.56%

Plants that contains it

• Arabidopsis thaliana

Cross-Links

• PubChem: 472107
• LOTUS: LTS0087066
• wikiData: Q27133571