N-(1H-indol-6-ylmethyl)-1-(4-methoxyphenyl)ethanamine

C18H20N2O — CID 102911336

IUPACN-(1H-indol-6-ylmethyl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NCc2ccc3cc[nH]c3c2)cc1
InChIInChI=1S/C18H20N2O/c1-13(15-5-7-17(21-2)8-6-15)20-12-14-3-4-16-9-10-19-18(16)11-14/h3-11,13,19-20H,12H2,1-2H3
InChIKeyGCZXLUHXAMASSK-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.03
Rot. Bonds5

About N-(1H-indol-6-ylmethyl)-1-(4-methoxyphenyl)ethanamine

N-(1H-indol-6-ylmethyl)-1-(4-methoxyphenyl)ethanamine (PubChem CID 102911336) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(1H-indol-6-ylmethyl)-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-(1H-indol-6-ylmethyl)-1-(4-methoxyphenyl)ethanamine
PubChem CID102911336
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(1H-indol-6-ylmethyl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NCc2ccc3cc[nH]c3c2)cc1
InChIInChI=1S/C18H20N2O/c1-13(15-5-7-17(21-2)8-6-15)20-12-14-3-4-16-9-10-19-18(16)11-14/h3-11,13,19-20H,12H2,1-2H3
InChIKeyGCZXLUHXAMASSK-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

N-(1H-indol-6-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 102910050
(1S)-1-(4-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911528
(1S)-1-(3-fluorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911546
N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 53274315
(1S)-N-[(3,4-dibromophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 104865436
(1R)-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371436
N-[(3,4-dibromophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115693136
(1S)-1-(4-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 81370646
2-methoxy-5-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 62048765
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 106816973
(1R)-N-[(3-bromo-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 105401602
1-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178104

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-ylmethyl)-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-(1H-indol-6-ylmethyl)-1-(4-methoxyphenyl)ethanamine (CID 102911336) is N-(1H-indol-6-ylmethyl)-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-(1H-indol-6-ylmethyl)-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-(1H-indol-6-ylmethyl)-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(C)NCc2ccc3cc[nH]c3c2)cc1.
What is the InChIKey of N-(1H-indol-6-ylmethyl)-1-(4-methoxyphenyl)ethanamine?
The InChIKey is GCZXLUHXAMASSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13(15-5-7-17(21-2)8-6-15)20-12-14-3-4-16-9-10-19-18(16)11-14/h3-11,13,19-20H,12H2,1-2H3.
What are the key properties of N-(1H-indol-6-ylmethyl)-1-(4-methoxyphenyl)ethanamine?
N-(1H-indol-6-ylmethyl)-1-(4-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-6-ylmethyl)-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 102911336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).