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

C14H15F2N3 — CID 115147437

IUPAC2-N-[(3,4-difluorophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
SMILESCc1cc(N(C)Cc2ccc(F)c(F)c2)ncc1N
InChIInChI=1S/C14H15F2N3/c1-9-5-14(18-7-13(9)17)19(2)8-10-3-4-11(15)12(16)6-10/h3-7H,8,17H2,1-2H3
InChIKeyWRMRYDIQKJPHRS-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.89
Rot. Bonds3

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

2-N-[(3,4-difluorophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine (PubChem CID 115147437) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-N-[(3,4-difluorophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(3,4-difluorophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
PubChem CID115147437
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-N-[(3,4-difluorophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
SMILESCc1cc(N(C)Cc2ccc(F)c(F)c2)ncc1N
InChIInChI=1S/C14H15F2N3/c1-9-5-14(18-7-13(9)17)19(2)8-10-3-4-11(15)12(16)6-10/h3-7H,8,17H2,1-2H3
InChIKeyWRMRYDIQKJPHRS-UHFFFAOYSA-N
XLogP2.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(2,5-difluorophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 115147436
2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 79173849
2-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 115147433
2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 79475919
2-N-(2-fluorophenyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 79176501
2-N,4-dimethyl-2-N-(3-phenylpropyl)pyridine-2,5-diamine
CID 79173631
2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 115147979
2-N,2-N,4-trimethylpyridine-2,5-diamine;trihydrochloride
CID 129319878
N-(3H-benzimidazol-5-ylmethyl)-5-bromo-N,4-dimethylpyridin-2-amine
CID 115147182
2-N-ethyl-2-N-(2-fluorophenyl)-4-methylpyridine-2,5-diamine
CID 79176696
2-N,4-dimethyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine
CID 115147336
2-N-(cyclopentylmethyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 79176906

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3,4-difluorophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine?
The IUPAC name of 2-N-[(3,4-difluorophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine (CID 115147437) is 2-N-[(3,4-difluorophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(3,4-difluorophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[(3,4-difluorophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine is Cc1cc(N(C)Cc2ccc(F)c(F)c2)ncc1N.
What is the InChIKey of 2-N-[(3,4-difluorophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine?
The InChIKey is WRMRYDIQKJPHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-9-5-14(18-7-13(9)17)19(2)8-10-3-4-11(15)12(16)6-10/h3-7H,8,17H2,1-2H3.
What are the key properties of 2-N-[(3,4-difluorophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine?
2-N-[(3,4-difluorophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine has a molecular weight of 263.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3,4-difluorophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 115147437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).