N-[(4-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)ethanamine

C19H22N2O — CID 127031546

IUPACN-[(4-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)ethanamine
SMILESCOc1ccc(CNCCc2cn(C)c3ccccc23)cc1
InChIInChI=1S/C19H22N2O/c1-21-14-16(18-5-3-4-6-19(18)21)11-12-20-13-15-7-9-17(22-2)10-8-15/h3-10,14,20H,11-13H2,1-2H3
InChIKeyQVCDWXGZKZGTKC-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.52
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)ethanamine

N-[(4-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)ethanamine (PubChem CID 127031546) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)ethanamine
PubChem CID127031546
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)ethanamine
SMILESCOc1ccc(CNCCc2cn(C)c3ccccc23)cc1
InChIInChI=1S/C19H22N2O/c1-21-14-16(18-5-3-4-6-19(18)21)11-12-20-13-15-7-9-17(22-2)10-8-15/h3-10,14,20H,11-13H2,1-2H3
InChIKeyQVCDWXGZKZGTKC-UHFFFAOYSA-N
XLogP3.52
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)ethanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)ethanamine (CID 127031546) is N-[(4-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)ethanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)ethanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)ethanamine is COc1ccc(CNCCc2cn(C)c3ccccc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)ethanamine?
The InChIKey is QVCDWXGZKZGTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-21-14-16(18-5-3-4-6-19(18)21)11-12-20-13-15-7-9-17(22-2)10-8-15/h3-10,14,20H,11-13H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)ethanamine?
N-[(4-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)ethanamine has a molecular weight of 294.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)ethanamine is sourced from PubChem (CID 127031546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).