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

C15H17ClN2O — CID 63986667

IUPAC1-(3-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
SMILESCOc1cccc(CNC(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C15H17ClN2O/c1-11(12-5-3-6-13(16)9-12)17-10-14-7-4-8-15(18-14)19-2/h3-9,11,17H,10H2,1-2H3
InChIKeyWEOPJRPNDCFFSB-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.59
Rot. Bonds5

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

1-(3-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine (PubChem CID 63986667) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
PubChem CID63986667
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-(3-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
SMILESCOc1cccc(CNC(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C15H17ClN2O/c1-11(12-5-3-6-13(16)9-12)17-10-14-7-4-8-15(18-14)19-2/h3-9,11,17H,10H2,1-2H3
InChIKeyWEOPJRPNDCFFSB-UHFFFAOYSA-N
XLogP3.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-bromophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81382454
(1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81347461
6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904845
1-(3-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine
CID 43552261
(1R)-1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine
CID 45377852
(1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81397060
1-(3-chlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 43078961
1-(3-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43183544
1-(4-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 103711055
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 112582155
1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-3-methylbutan-2-amine
CID 79259192
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine (CID 63986667) is 1-(3-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine is COc1cccc(CNC(C)c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
The InChIKey is WEOPJRPNDCFFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11(12-5-3-6-13(16)9-12)17-10-14-7-4-8-15(18-14)19-2/h3-9,11,17H,10H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
1-(3-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine has a molecular weight of 276.77 g/mol, XLogP of 3.59, 5 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-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 63986667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).