[3-methyl-2-(2-methylphenyl)-1H-indol-5-yl]methanamine

C17H18N2 — CID 156814165

IUPAC[3-methyl-2-(2-methylphenyl)-1H-indol-5-yl]methanamine
SMILESCc1ccccc1-c1[nH]c2ccc(CN)cc2c1C
InChIInChI=1S/C17H18N2/c1-11-5-3-4-6-14(11)17-12(2)15-9-13(10-18)7-8-16(15)19-17/h3-9,19H,10,18H2,1-2H3
InChIKeyNEXGHSUXXXRILC-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.91
Rot. Bonds2

About [3-methyl-2-(2-methylphenyl)-1H-indol-5-yl]methanamine

[3-methyl-2-(2-methylphenyl)-1H-indol-5-yl]methanamine (PubChem CID 156814165) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [3-methyl-2-(2-methylphenyl)-1H-indol-5-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-2-(2-methylphenyl)-1H-indol-5-yl]methanamine
PubChem CID156814165
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name[3-methyl-2-(2-methylphenyl)-1H-indol-5-yl]methanamine
SMILESCc1ccccc1-c1[nH]c2ccc(CN)cc2c1C
InChIInChI=1S/C17H18N2/c1-11-5-3-4-6-14(11)17-12(2)15-9-13(10-18)7-8-16(15)19-17/h3-9,19H,10,18H2,1-2H3
InChIKeyNEXGHSUXXXRILC-UHFFFAOYSA-N
XLogP3.91
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(2-methylphenyl)-1H-indol-5-yl]methanamine?
The IUPAC name of [3-methyl-2-(2-methylphenyl)-1H-indol-5-yl]methanamine (CID 156814165) is [3-methyl-2-(2-methylphenyl)-1H-indol-5-yl]methanamine.
What is the SMILES notation for [3-methyl-2-(2-methylphenyl)-1H-indol-5-yl]methanamine?
The canonical SMILES for [3-methyl-2-(2-methylphenyl)-1H-indol-5-yl]methanamine is Cc1ccccc1-c1[nH]c2ccc(CN)cc2c1C.
What is the InChIKey of [3-methyl-2-(2-methylphenyl)-1H-indol-5-yl]methanamine?
The InChIKey is NEXGHSUXXXRILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-11-5-3-4-6-14(11)17-12(2)15-9-13(10-18)7-8-16(15)19-17/h3-9,19H,10,18H2,1-2H3.
What are the key properties of [3-methyl-2-(2-methylphenyl)-1H-indol-5-yl]methanamine?
[3-methyl-2-(2-methylphenyl)-1H-indol-5-yl]methanamine has a molecular weight of 250.34 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(2-methylphenyl)-1H-indol-5-yl]methanamine is sourced from PubChem (CID 156814165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).