2-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methylpyridine-2,5-diamine

C14H16FN3O — CID 115147662

IUPAC2-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methylpyridine-2,5-diamine
SMILESCOc1ccc(CNc2ccc(N)c(C)n2)cc1F
InChIInChI=1S/C14H16FN3O/c1-9-12(16)4-6-14(18-9)17-8-10-3-5-13(19-2)11(15)7-10/h3-7H,8,16H2,1-2H3,(H,17,18)
InChIKeyZLYUVKDPBZOBRK-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.73
Rot. Bonds4

About 2-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methylpyridine-2,5-diamine

2-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methylpyridine-2,5-diamine (PubChem CID 115147662) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methylpyridine-2,5-diamine
PubChem CID115147662
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methylpyridine-2,5-diamine
SMILESCOc1ccc(CNc2ccc(N)c(C)n2)cc1F
InChIInChI=1S/C14H16FN3O/c1-9-12(16)4-6-14(18-9)17-8-10-3-5-13(19-2)11(15)7-10/h3-7H,8,16H2,1-2H3,(H,17,18)
InChIKeyZLYUVKDPBZOBRK-UHFFFAOYSA-N
XLogP2.73
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine
CID 83308187
2-tert-butyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 133351061
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 113290173
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 84592348
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970093
1-[6-[(3-fluoro-4-methoxyphenyl)methylamino]-3-pyridinyl]ethanone
CID 167923965
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 43235538
2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 43090343
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline
CID 43235477
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline
CID 43332367
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 63329564

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methylpyridine-2,5-diamine (CID 115147662) is 2-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methylpyridine-2,5-diamine is COc1ccc(CNc2ccc(N)c(C)n2)cc1F.
What is the InChIKey of 2-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methylpyridine-2,5-diamine?
The InChIKey is ZLYUVKDPBZOBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9-12(16)4-6-14(18-9)17-8-10-3-5-13(19-2)11(15)7-10/h3-7H,8,16H2,1-2H3,(H,17,18).
What are the key properties of 2-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methylpyridine-2,5-diamine?
2-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methylpyridine-2,5-diamine has a molecular weight of 261.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methylpyridine-2,5-diamine is sourced from PubChem (CID 115147662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).