N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine

C18H20N2O — CID 60663811

IUPACN-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1C(C)NCc1c[nH]c2ccccc12
InChIInChI=1S/C18H20N2O/c1-13(15-7-4-6-10-18(15)21-2)19-11-14-12-20-17-9-5-3-8-16(14)17/h3-10,12-13,19-20H,11H2,1-2H3
InChIKeyMANCIUKUWZLWBL-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.03
Rot. Bonds5

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

N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine (PubChem CID 60663811) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
PubChem CID60663811
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1C(C)NCc1c[nH]c2ccccc12
InChIInChI=1S/C18H20N2O/c1-13(15-7-4-6-10-18(15)21-2)19-11-14-12-20-17-9-5-3-8-16(14)17/h3-10,12-13,19-20H,11H2,1-2H3
InChIKeyMANCIUKUWZLWBL-UHFFFAOYSA-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

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Related Compounds

(1R)-N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 81389478
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 119955955
3-[(2-methoxyphenyl)methyl]-1H-indole
CID 102404836
(1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406304
(2R)-N-(1H-indol-3-ylmethyl)butan-2-amine
CID 92864086
1-(1,3-dimethylpyrazol-4-yl)-N-(1H-indol-3-ylmethyl)ethanamine
CID 19626630
(1S)-N-(1H-indol-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 81401542
(2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol
CID 114985544
4-[[1-(2-methoxyphenyl)ethylamino]methyl]benzene-1,3-diol
CID 43202064
2-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 46591974
2-(1H-indol-3-ylmethylamino)propanenitrile
CID 115130152

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine (CID 60663811) is N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine is COc1ccccc1C(C)NCc1c[nH]c2ccccc12.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine?
The InChIKey is MANCIUKUWZLWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13(15-7-4-6-10-18(15)21-2)19-11-14-12-20-17-9-5-3-8-16(14)17/h3-10,12-13,19-20H,11H2,1-2H3.
What are the key properties of N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine?
N-(1H-indol-3-ylmethyl)-1-(2-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 N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 60663811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).