(1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine

C18H20N2O — CID 81353840

IUPAC(1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@H](C)NCc2cccc3[nH]ccc23)c1
InChIInChI=1S/C18H20N2O/c1-13(14-5-3-7-16(11-14)21-2)20-12-15-6-4-8-18-17(15)9-10-19-18/h3-11,13,19-20H,12H2,1-2H3/t13-/m0/s1
InChIKeyVLTVWIVCTAVXSK-ZDUSSCGKSA-N
MW280.37 g/mol
LogP4.03
Rot. Bonds5

About (1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine

(1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine (PubChem CID 81353840) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine
PubChem CID81353840
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@H](C)NCc2cccc3[nH]ccc23)c1
InChIInChI=1S/C18H20N2O/c1-13(14-5-3-7-16(11-14)21-2)20-12-15-6-4-8-18-17(15)9-10-19-18/h3-11,13,19-20H,12H2,1-2H3/t13-/m0/s1
InChIKeyVLTVWIVCTAVXSK-ZDUSSCGKSA-N
XLogP4.03
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)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

N-(1H-indol-4-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 119110075
(1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81367023
2-(1H-indol-4-ylmethylamino)-1-(3-methoxyphenyl)ethanol
CID 111114815
1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 119125336
N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 60960692
(1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376650
N-(1H-indol-4-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 63001401
N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 54976078
(1R)-N-[(2,3-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376568
(1R)-1-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81381224
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 103954655
(1S)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354425

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of (1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine (CID 81353840) is (1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for (1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine is COc1cccc([C@H](C)NCc2cccc3[nH]ccc23)c1.
What is the InChIKey of (1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine?
The InChIKey is VLTVWIVCTAVXSK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13(14-5-3-7-16(11-14)21-2)20-12-15-6-4-8-18-17(15)9-10-19-18/h3-11,13,19-20H,12H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine?
(1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine has a molecular weight of 280.37 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 81353840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).