1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine

C15H17ClN2O — CID 79697755

IUPAC1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
SMILESCNC(c1ccc(Cl)c(OC)c1)c1ncccc1C
InChIInChI=1S/C15H17ClN2O/c1-10-5-4-8-18-14(10)15(17-2)11-6-7-12(16)13(9-11)19-3/h4-9,15,17H,1-3H3
InChIKeyNXPDSKATXUAZLL-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.36
Rot. Bonds4

About 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine

1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine (PubChem CID 79697755) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
PubChem CID79697755
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
SMILESCNC(c1ccc(Cl)c(OC)c1)c1ncccc1C
InChIInChI=1S/C15H17ClN2O/c1-10-5-4-8-18-14(10)15(17-2)11-6-7-12(16)13(9-11)19-3/h4-9,15,17H,1-3H3
InChIKeyNXPDSKATXUAZLL-UHFFFAOYSA-N
XLogP3.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 107560238
1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105006926
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 106680494
N-[(4-chloro-3-methoxyphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82732783
1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105007011
1-(3-chloro-2-pyridinyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 103444068
1-(3-methoxy-2-pyridinyl)-N-methyl-1-phenylmethanamine
CID 114053820
N-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105164579
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 105006756
1-(3-chloro-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 103444187
N-methyl-1-(3-methyl-2-pyridinyl)-1-(4-propoxyphenyl)methanamine
CID 62796820
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 82808124

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine (CID 79697755) is 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine is CNC(c1ccc(Cl)c(OC)c1)c1ncccc1C.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine?
The InChIKey is NXPDSKATXUAZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10-5-4-8-18-14(10)15(17-2)11-6-7-12(16)13(9-11)19-3/h4-9,15,17H,1-3H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine?
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine has a molecular weight of 276.77 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 79697755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).