N-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)ethanamine

C18H20N2 — CID 63002267

IUPACN-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CCNCc2cccc3[nH]ccc23)c1
InChIInChI=1S/C18H20N2/c1-14-4-2-5-15(12-14)8-10-19-13-16-6-3-7-18-17(16)9-11-20-18/h2-7,9,11-12,19-20H,8,10,13H2,1H3
InChIKeyUBRRUUPCQIFJTD-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.81
Rot. Bonds5

About N-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)ethanamine

N-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)ethanamine (PubChem CID 63002267) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)ethanamine
PubChem CID63002267
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC NameN-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CCNCc2cccc3[nH]ccc23)c1
InChIInChI=1S/C18H20N2/c1-14-4-2-5-15(12-14)8-10-19-13-16-6-3-7-18-17(16)9-11-20-18/h2-7,9,11-12,19-20H,8,10,13H2,1H3
InChIKeyUBRRUUPCQIFJTD-UHFFFAOYSA-N
XLogP3.81
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)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-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
N-[(2-bromophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 55062660
2-[[2-(3-methylphenyl)ethylamino]methyl]aniline
CID 66418651
N'-benzyl-N-(1H-indol-4-ylmethyl)-N'-methylethane-1,2-diamine
CID 119110220
2-(1H-imidazol-5-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 64988316
N-[(2-chloro-3-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 112652010
2-(3-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 55062757
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62314975
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 63001392

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of N-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)ethanamine (CID 63002267) is N-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)ethanamine is Cc1cccc(CCNCc2cccc3[nH]ccc23)c1.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)ethanamine?
The InChIKey is UBRRUUPCQIFJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-14-4-2-5-15(12-14)8-10-19-13-16-6-3-7-18-17(16)9-11-20-18/h2-7,9,11-12,19-20H,8,10,13H2,1H3.
What are the key properties of N-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)ethanamine?
N-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)ethanamine has a molecular weight of 264.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 63002267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).