2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine

C15H18FN3 — CID 115147979

IUPAC2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
SMILESCc1cc(CN(C)c2ncc(N)cc2C)ccc1F
InChIInChI=1S/C15H18FN3/c1-10-6-12(4-5-14(10)16)9-19(3)15-11(2)7-13(17)8-18-15/h4-8H,9,17H2,1-3H3
InChIKeyWODOYCAXQYCSAA-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.06
Rot. Bonds3

About 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine

2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine (PubChem CID 115147979) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
PubChem CID115147979
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
SMILESCc1cc(CN(C)c2ncc(N)cc2C)ccc1F
InChIInChI=1S/C15H18FN3/c1-10-6-12(4-5-14(10)16)9-19(3)15-11(2)7-13(17)8-18-15/h4-8H,9,17H2,1-3H3
InChIKeyWODOYCAXQYCSAA-UHFFFAOYSA-N
XLogP3.06
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine?
The IUPAC name of 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine (CID 115147979) is 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine is Cc1cc(CN(C)c2ncc(N)cc2C)ccc1F.
What is the InChIKey of 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine?
The InChIKey is WODOYCAXQYCSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-10-6-12(4-5-14(10)16)9-19(3)15-11(2)7-13(17)8-18-15/h4-8H,9,17H2,1-3H3.
What are the key properties of 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine?
2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine has a molecular weight of 259.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 115147979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).