1-(2-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine

C16H19ClN2O — CID 115708547

IUPAC1-(2-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine
SMILESCOc1ccc(CNC(C)Cc2ccccc2Cl)cn1
InChIInChI=1S/C16H19ClN2O/c1-12(9-14-5-3-4-6-15(14)17)18-10-13-7-8-16(20-2)19-11-13/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyPSEZPVCEASUHTM-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.46
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine

1-(2-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine (PubChem CID 115708547) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine
PubChem CID115708547
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-(2-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine
SMILESCOc1ccc(CNC(C)Cc2ccccc2Cl)cn1
InChIInChI=1S/C16H19ClN2O/c1-12(9-14-5-3-4-6-15(14)17)18-10-13-7-8-16(20-2)19-11-13/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyPSEZPVCEASUHTM-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712228
3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile
CID 62991342
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712225
N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 43206290
N-[(6-methoxy-3-pyridinyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 43770470
1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine
CID 43677385
2-[(6-methoxy-3-pyridinyl)methylamino]-N-phenylpropanamide
CID 60711152
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 175358714
N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 62390689
(2S)-1-(2-methoxyphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 97230370
1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine
CID 62761568

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine (CID 115708547) is 1-(2-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine is COc1ccc(CNC(C)Cc2ccccc2Cl)cn1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine?
The InChIKey is PSEZPVCEASUHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-12(9-14-5-3-4-6-15(14)17)18-10-13-7-8-16(20-2)19-11-13/h3-8,11-12,18H,9-10H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine?
1-(2-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine has a molecular weight of 290.79 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 115708547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).