1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine

C16H20N2O — CID 81407071

IUPAC1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
SMILESCOc1ccc(C(C)N[C@H](C)c2cccnc2)cc1
InChIInChI=1S/C16H20N2O/c1-12(14-6-8-16(19-3)9-7-14)18-13(2)15-5-4-10-17-11-15/h4-13,18H,1-3H3/t12?,13-/m1/s1
InChIKeyZOTWPJWRTGKGJI-ZGTCLIOFSA-N
MW256.35 g/mol
LogP3.50
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine

1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine (PubChem CID 81407071) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
PubChem CID81407071
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
SMILESCOc1ccc(C(C)N[C@H](C)c2cccnc2)cc1
InChIInChI=1S/C16H20N2O/c1-12(14-6-8-16(19-3)9-7-14)18-13(2)15-5-4-10-17-11-15/h4-13,18H,1-3H3/t12?,13-/m1/s1
InChIKeyZOTWPJWRTGKGJI-ZGTCLIOFSA-N
XLogP3.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]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

1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
CID 81407563
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
methyl 3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-3-ylpropanoate
CID 15544536
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 81345023
1-(4-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79690838
1-(4-methylsulfanylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79139134
1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407566
4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile
CID 81407237
(1R)-N-[1-(5-methylfuran-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81407154
1-(4-butylphenyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43203644

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine (CID 81407071) is 1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine is COc1ccc(C(C)N[C@H](C)c2cccnc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine?
The InChIKey is ZOTWPJWRTGKGJI-ZGTCLIOFSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12(14-6-8-16(19-3)9-7-14)18-13(2)15-5-4-10-17-11-15/h4-13,18H,1-3H3/t12?,13-/m1/s1.
What are the key properties of 1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine?
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine is sourced from PubChem (CID 81407071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).