1-(3-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine

C16H19ClN2O — CID 43206298

IUPAC1-(3-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCC(NCc1ccc(OC)nc1)c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-3-15(13-5-4-6-14(17)9-13)18-10-12-7-8-16(20-2)19-11-12/h4-9,11,15,18H,3,10H2,1-2H3
InChIKeyIMAPHAAINWBRPW-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.98
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine

1-(3-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine (PubChem CID 43206298) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
PubChem CID43206298
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-(3-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCC(NCc1ccc(OC)nc1)c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-3-15(13-5-4-6-14(17)9-13)18-10-12-7-8-16(20-2)19-11-12/h4-9,11,15,18H,3,10H2,1-2H3
InChIKeyIMAPHAAINWBRPW-UHFFFAOYSA-N
XLogP3.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 43206327
[4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol
CID 103947369
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43206362
(1R)-1-(3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 28712390
3-[(6-methoxy-3-pyridinyl)methylamino]-3-phenylpropanenitrile
CID 62989925
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712225
(1R)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712228
1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 103717175
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine
CID 28712310
1-(4-fluoro-3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 82991116
4-bromo-2-[1-[(6-methoxy-3-pyridinyl)methylamino]propyl]phenol
CID 43097149
N-[(3-chlorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871542

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine (CID 43206298) is 1-(3-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine is CCC(NCc1ccc(OC)nc1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is IMAPHAAINWBRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-3-15(13-5-4-6-14(17)9-13)18-10-12-7-8-16(20-2)19-11-12/h4-9,11,15,18H,3,10H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine?
1-(3-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 290.79 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 43206298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).