1-(4-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine

C16H19ClN2O — CID 103711055

IUPAC1-(4-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
SMILESCCC(NCc1cccc(OC)n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O/c1-3-15(12-7-9-13(17)10-8-12)18-11-14-5-4-6-16(19-14)20-2/h4-10,15,18H,3,11H2,1-2H3
InChIKeyHRMJXTLJHWONGZ-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.98
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine

1-(4-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine (PubChem CID 103711055) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
PubChem CID103711055
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-(4-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
SMILESCCC(NCc1cccc(OC)n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O/c1-3-15(12-7-9-13(17)10-8-12)18-11-14-5-4-6-16(19-14)20-2/h4-10,15,18H,3,11H2,1-2H3
InChIKeyHRMJXTLJHWONGZ-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-(3-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 63986667
1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-3-methylbutan-2-amine
CID 79259192
(1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81347461
3-[[1-(4-chlorophenyl)propylamino]methyl]benzene-1,2-diol
CID 61318879
1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 62321246
4-[1-[(6-methyl-2-pyridinyl)methylamino]propyl]phenol
CID 62321765
N-[(6-methoxy-2-pyridinyl)methyl]hexan-2-amine
CID 63985472
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
CID 43434316
2-(6-methoxy-2-pyridinyl)-N-methyl-1-phenylethanamine
CID 63586131
N-[(6-methoxy-2-pyridinyl)methyl]octan-4-amine
CID 103781524
1-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 112812779
5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylaniline
CID 63993319

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine (CID 103711055) is 1-(4-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine is CCC(NCc1cccc(OC)n1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is HRMJXTLJHWONGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-3-15(12-7-9-13(17)10-8-12)18-11-14-5-4-6-16(19-14)20-2/h4-10,15,18H,3,11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine?
1-(4-chlorophenyl)-N-[(6-methoxy-2-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-(4-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 103711055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).