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

C15H17ClN2O — CID 82893811

IUPAC1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine
SMILESCOc1cc(C)nc(CNCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H17ClN2O/c1-11-7-15(19-2)8-14(18-11)10-17-9-12-3-5-13(16)6-4-12/h3-8,17H,9-10H2,1-2H3
InChIKeyJJTLNFMZVIHDGB-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.34
Rot. Bonds5

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

1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine (PubChem CID 82893811) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine
PubChem CID82893811
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine
SMILESCOc1cc(C)nc(CNCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H17ClN2O/c1-11-7-15(19-2)8-14(18-11)10-17-9-12-3-5-13(16)6-4-12/h3-8,17H,9-10H2,1-2H3
InChIKeyJJTLNFMZVIHDGB-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine
CID 82893372
(1R)-1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethanamine
CID 82893911
1-(4-methoxy-6-methyl-2-pyridinyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 82893756
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine
CID 82893583
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 113438737
(4-methoxy-6-methyl-2-pyridinyl)methylhydrazine
CID 82893343
4-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82893201
2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]acetic acid
CID 82893407
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-methylphenyl)ethanamine
CID 82893446
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]decan-1-amine
CID 82887891
2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82893270
3-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline
CID 82893507

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine (CID 82893811) is 1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine is COc1cc(C)nc(CNCc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine?
The InChIKey is JJTLNFMZVIHDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11-7-15(19-2)8-14(18-11)10-17-9-12-3-5-13(16)6-4-12/h3-8,17H,9-10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine?
1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine has a molecular weight of 276.77 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 82893811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).