N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine

C13H12F2N2 — CID 63329924

IUPACN-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine
SMILESCc1ccncc1NCc1ccc(F)cc1F
InChIInChI=1S/C13H12F2N2/c1-9-4-5-16-8-13(9)17-7-10-2-3-11(14)6-12(10)15/h2-6,8,17H,7H2,1H3
InChIKeyWOGJEJKAHPEPOW-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.28
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine

N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine (PubChem CID 63329924) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine
PubChem CID63329924
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine
SMILESCc1ccncc1NCc1ccc(F)cc1F
InChIInChI=1S/C13H12F2N2/c1-9-4-5-16-8-13(9)17-7-10-2-3-11(14)6-12(10)15/h2-6,8,17H,7H2,1H3
InChIKeyWOGJEJKAHPEPOW-UHFFFAOYSA-N
XLogP3.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329306
4-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 81244539
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylpyridin-3-amine
CID 66161162
1-[(2,4-difluorophenyl)methyl]-4-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 171334559
N-[(4-ethylphenyl)methyl]-4-methylpyridin-3-amine
CID 63329527
5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 103818107
4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
CID 63329883
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 63329564
N-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline
CID 55118690
4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 63329305
N-[(2,3-dichlorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329830
2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 79073279

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine (CID 63329924) is N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine is Cc1ccncc1NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine?
The InChIKey is WOGJEJKAHPEPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c1-9-4-5-16-8-13(9)17-7-10-2-3-11(14)6-12(10)15/h2-6,8,17H,7H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine?
N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine has a molecular weight of 234.25 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine is sourced from PubChem (CID 63329924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).