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

C18H20N2O — CID 81367023

IUPAC(1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)NCc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C18H20N2O/c1-13(14-6-8-16(21-2)9-7-14)20-12-15-4-3-5-18-17(15)10-11-19-18/h3-11,13,19-20H,12H2,1-2H3/t13-/m1/s1
InChIKeyJDUHMUJQRWKRNC-CYBMUJFWSA-N
MW280.37 g/mol
LogP4.03
Rot. Bonds5

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

(1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine (PubChem CID 81367023) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine
PubChem CID81367023
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)NCc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C18H20N2O/c1-13(14-6-8-16(21-2)9-7-14)20-12-15-4-3-5-18-17(15)10-11-19-18/h3-11,13,19-20H,12H2,1-2H3/t13-/m1/s1
InChIKeyJDUHMUJQRWKRNC-CYBMUJFWSA-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

(1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81353840
N-(1H-indol-4-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 63001401
1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 119125336
N-(1H-indol-4-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 119110075
3-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]benzene-1,2-diol
CID 81370718
(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371074
N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine
CID 63001738
(1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 81373106
N-(1H-indol-6-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 102911336
2-[[1-(4-methoxyphenyl)ethylamino]methyl]aniline
CID 66417891
(2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine
CID 104868036
2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81367015

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine (CID 81367023) is (1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine is COc1ccc([C@@H](C)NCc2cccc3[nH]ccc23)cc1.
What is the InChIKey of (1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine?
The InChIKey is JDUHMUJQRWKRNC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13(14-6-8-16(21-2)9-7-14)20-12-15-4-3-5-18-17(15)10-11-19-18/h3-11,13,19-20H,12H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine?
(1R)-N-(1H-indol-4-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 (1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 81367023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).