2-(6-methylindol-1-yl)aniline

C15H14N2 — CID 51032406

IUPAC2-(6-methylindol-1-yl)aniline
SMILESCc1ccc2ccn(-c3ccccc3N)c2c1
InChIInChI=1S/C15H14N2/c1-11-6-7-12-8-9-17(15(12)10-11)14-5-3-2-4-13(14)16/h2-10H,16H2,1H3
InChIKeyXHCOGCHPGNVDMV-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.52
Rot. Bonds1

About 2-(6-methylindol-1-yl)aniline

2-(6-methylindol-1-yl)aniline (PubChem CID 51032406) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(6-methylindol-1-yl)aniline.

Molecular Properties

Compound Name2-(6-methylindol-1-yl)aniline
PubChem CID51032406
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name2-(6-methylindol-1-yl)aniline
SMILESCc1ccc2ccn(-c3ccccc3N)c2c1
InChIInChI=1S/C15H14N2/c1-11-6-7-12-8-9-17(15(12)10-11)14-5-3-2-4-13(14)16/h2-10H,16H2,1H3
InChIKeyXHCOGCHPGNVDMV-UHFFFAOYSA-N
XLogP3.52
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyphenyl)-6-methylindole
CID 150985868
1-(3,5-dimethylphenyl)-6-methylindole
CID 102474206
6-methyl-1-(5-methylthiophen-3-yl)indole
CID 70851536
6-chloro-1-(2-chlorophenyl)indole
CID 22049239
1-(2-aminophenyl)quinolin-4-one
CID 15712134
2-indol-1-yl-N-methylaniline
CID 162411052
2-(2-methylimidazol-1-yl)aniline;hydrochloride
CID 126802319
2-amino-1-(2-aminophenyl)pyrrol-3-ol
CID 174546015
2-(5-methyl-1,3-diphenylisoindol-2-yl)aniline
CID 122370074
4-indol-1-yl-7-methyl-2-(trifluoromethyl)quinoline
CID 71121660
1-(2-bromoethyl)-6-methylindole
CID 130577129
2-(3-bromoindol-1-yl)aniline
CID 51032404

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylindol-1-yl)aniline?
The IUPAC name of 2-(6-methylindol-1-yl)aniline (CID 51032406) is 2-(6-methylindol-1-yl)aniline.
What is the SMILES notation for 2-(6-methylindol-1-yl)aniline?
The canonical SMILES for 2-(6-methylindol-1-yl)aniline is Cc1ccc2ccn(-c3ccccc3N)c2c1.
What is the InChIKey of 2-(6-methylindol-1-yl)aniline?
The InChIKey is XHCOGCHPGNVDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-11-6-7-12-8-9-17(15(12)10-11)14-5-3-2-4-13(14)16/h2-10H,16H2,1H3.
What are the key properties of 2-(6-methylindol-1-yl)aniline?
2-(6-methylindol-1-yl)aniline has a molecular weight of 222.29 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylindol-1-yl)aniline is sourced from PubChem (CID 51032406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).