[2-(2-methylphenyl)-1H-indol-3-yl]methanamine

C16H16N2 — CID 22689271

IUPAC[2-(2-methylphenyl)-1H-indol-3-yl]methanamine
SMILESCc1ccccc1-c1[nH]c2ccccc2c1CN
InChIInChI=1S/C16H16N2/c1-11-6-2-3-7-12(11)16-14(10-17)13-8-4-5-9-15(13)18-16/h2-9,18H,10,17H2,1H3
InChIKeyNMTJEFFRHAGRBR-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.60
Rot. Bonds2

About [2-(2-methylphenyl)-1H-indol-3-yl]methanamine

[2-(2-methylphenyl)-1H-indol-3-yl]methanamine (PubChem CID 22689271) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is [2-(2-methylphenyl)-1H-indol-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methylphenyl)-1H-indol-3-yl]methanamine
PubChem CID22689271
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name[2-(2-methylphenyl)-1H-indol-3-yl]methanamine
SMILESCc1ccccc1-c1[nH]c2ccccc2c1CN
InChIInChI=1S/C16H16N2/c1-11-6-2-3-7-12(11)16-14(10-17)13-8-4-5-9-15(13)18-16/h2-9,18H,10,17H2,1H3
InChIKeyNMTJEFFRHAGRBR-UHFFFAOYSA-N
XLogP3.60
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-2-(2-methylphenyl)-1H-quinolin-4-one
CID 11630194
[3-methyl-2-(2-methylphenyl)-1H-indol-5-yl]methanamine
CID 156814165
4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3665448
4-[5-tert-butyl-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4312932
2-(3-benzyl-1H-indol-2-yl)phenol
CID 142650095
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
2-methyl-6-(3-phenylsulfanyl-1H-indol-2-yl)aniline
CID 140968076
2-(2-methylphenyl)-3-piperidin-4-yl-1H-indole;hydrochloride
CID 171337557
[1-[(2-methyl-1H-indol-3-yl)methyl]cyclopropyl]methanamine
CID 116928972
2-[2-(2-aminophenyl)-1H-indol-3-yl]acetonitrile
CID 10879441
4-[2-(2-methoxy-3-methylphenyl)-5-phenyl-1H-indol-3-yl]butan-1-amine
CID 4545221
4-(2-quinolin-5-yl-1H-indol-3-yl)butan-1-amine
CID 3891095

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)-1H-indol-3-yl]methanamine?
The IUPAC name of [2-(2-methylphenyl)-1H-indol-3-yl]methanamine (CID 22689271) is [2-(2-methylphenyl)-1H-indol-3-yl]methanamine.
What is the SMILES notation for [2-(2-methylphenyl)-1H-indol-3-yl]methanamine?
The canonical SMILES for [2-(2-methylphenyl)-1H-indol-3-yl]methanamine is Cc1ccccc1-c1[nH]c2ccccc2c1CN.
What is the InChIKey of [2-(2-methylphenyl)-1H-indol-3-yl]methanamine?
The InChIKey is NMTJEFFRHAGRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-11-6-2-3-7-12(11)16-14(10-17)13-8-4-5-9-15(13)18-16/h2-9,18H,10,17H2,1H3.
What are the key properties of [2-(2-methylphenyl)-1H-indol-3-yl]methanamine?
[2-(2-methylphenyl)-1H-indol-3-yl]methanamine has a molecular weight of 236.32 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)-1H-indol-3-yl]methanamine is sourced from PubChem (CID 22689271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).