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

C17H22N2O — CID 81407563

IUPAC1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
SMILESCCC(N[C@H](C)c1cccnc1)c1ccc(OC)cc1
InChIInChI=1S/C17H22N2O/c1-4-17(14-7-9-16(20-3)10-8-14)19-13(2)15-6-5-11-18-12-15/h5-13,17,19H,4H2,1-3H3/t13-,17?/m1/s1
InChIKeyMQJMEROPINYAKD-FWJOYPJLSA-N
MW270.38 g/mol
LogP3.89
Rot. Bonds6

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

1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine (PubChem CID 81407563) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
PubChem CID81407563
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
SMILESCCC(N[C@H](C)c1cccnc1)c1ccc(OC)cc1
InChIInChI=1S/C17H22N2O/c1-4-17(14-7-9-16(20-3)10-8-14)19-13(2)15-6-5-11-18-12-15/h5-13,17,19H,4H2,1-3H3/t13-,17?/m1/s1
InChIKeyMQJMEROPINYAKD-FWJOYPJLSA-N
XLogP3.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407071
methyl 3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-3-ylpropanoate
CID 15544536
1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
CID 79139531
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butan-1-amine
CID 81406901
N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43720365
N-[1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43180837
4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol
CID 43720375
methyl 2-[[(1R)-1-pyridin-3-ylethyl]amino]butanoate
CID 115353559
N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 43503382
(2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103784104
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine (CID 81407563) is 1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine is CCC(N[C@H](C)c1cccnc1)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine?
The InChIKey is MQJMEROPINYAKD-FWJOYPJLSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-17(14-7-9-16(20-3)10-8-14)19-13(2)15-6-5-11-18-12-15/h5-13,17,19H,4H2,1-3H3/t13-,17?/m1/s1.
What are the key properties of 1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine?
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.89, 6 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]propan-1-amine is sourced from PubChem (CID 81407563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).