2-(2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine

C17H19N3 — CID 2049800

IUPAC2-(2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCc1[nH]c2ccccc2c1CCNCc1cccnc1
InChIInChI=1S/C17H19N3/c1-13-15(16-6-2-3-7-17(16)20-13)8-10-19-12-14-5-4-9-18-11-14/h2-7,9,11,19-20H,8,10,12H2,1H3
InChIKeyKEHHLMSMHNICBF-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.20
Rot. Bonds5

About 2-(2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine

2-(2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 2049800) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID2049800
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCc1[nH]c2ccccc2c1CCNCc1cccnc1
InChIInChI=1S/C17H19N3/c1-13-15(16-6-2-3-7-17(16)20-13)8-10-19-12-14-5-4-9-18-11-14/h2-7,9,11,19-20H,8,10,12H2,1H3
InChIKeyKEHHLMSMHNICBF-UHFFFAOYSA-N
XLogP3.20
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine;dihydrochloride
CID 71779188
N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 115263355
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 72879530
N-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 123838502
2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine
CID 12758180
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide;hydrate
CID 76972289
ethane;(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 156839616
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 96658400
N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 134536528
3-(4-chlorophenyl)-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(pyridin-3-ylmethyl)thiourea
CID 2157730

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine (CID 2049800) is 2-(2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine is Cc1[nH]c2ccccc2c1CCNCc1cccnc1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is KEHHLMSMHNICBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-13-15(16-6-2-3-7-17(16)20-13)8-10-19-12-14-5-4-9-18-11-14/h2-7,9,11,19-20H,8,10,12H2,1H3.
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine?
2-(2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 2049800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).