N-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine

C14H14ClFN2O — CID 106660477

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine
SMILESCOc1cnc(C)cc1NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H14ClFN2O/c1-9-5-13(14(19-2)8-17-9)18-7-10-3-4-12(16)11(15)6-10/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyAEYIIZINYMJSOI-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.80
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine

N-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine (PubChem CID 106660477) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine
PubChem CID106660477
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine
SMILESCOc1cnc(C)cc1NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H14ClFN2O/c1-9-5-13(14(19-2)8-17-9)18-7-10-3-4-12(16)11(15)6-10/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyAEYIIZINYMJSOI-UHFFFAOYSA-N
XLogP3.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine
CID 106660476
N-benzyl-5-methoxy-2-methylpyridin-4-amine
CID 106660226
N-[(2-chlorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine
CID 106660234
5-chloro-2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756549
N-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 65022563
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 63419097
5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
CID 65022123
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-chloro-4-methoxyphenyl)methanamine
CID 65021339
N-[(3-chloro-4-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 81143549
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 60615931
5-[(3-chloro-4-fluorophenyl)methylamino]-2-methoxyphenol
CID 81145856
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-4-amine
CID 79839987

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine (CID 106660477) is N-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine is COc1cnc(C)cc1NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine?
The InChIKey is AEYIIZINYMJSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-9-5-13(14(19-2)8-17-9)18-7-10-3-4-12(16)11(15)6-10/h3-6,8H,7H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine?
N-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine has a molecular weight of 280.73 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine is sourced from PubChem (CID 106660477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).