N-[(4-chloro-2-methylphenyl)methyl]-5-fluoropyridin-3-amine

C13H12ClFN2 — CID 114217558

IUPACN-[(4-chloro-2-methylphenyl)methyl]-5-fluoropyridin-3-amine
SMILESCc1cc(Cl)ccc1CNc1cncc(F)c1
InChIInChI=1S/C13H12ClFN2/c1-9-4-11(14)3-2-10(9)6-17-13-5-12(15)7-16-8-13/h2-5,7-8,17H,6H2,1H3
InChIKeyXDXIIZJHUXUZQJ-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.79
Rot. Bonds3

About N-[(4-chloro-2-methylphenyl)methyl]-5-fluoropyridin-3-amine

N-[(4-chloro-2-methylphenyl)methyl]-5-fluoropyridin-3-amine (PubChem CID 114217558) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is N-[(4-chloro-2-methylphenyl)methyl]-5-fluoropyridin-3-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-methylphenyl)methyl]-5-fluoropyridin-3-amine
PubChem CID114217558
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC NameN-[(4-chloro-2-methylphenyl)methyl]-5-fluoropyridin-3-amine
SMILESCc1cc(Cl)ccc1CNc1cncc(F)c1
InChIInChI=1S/C13H12ClFN2/c1-9-4-11(14)3-2-10(9)6-17-13-5-12(15)7-16-8-13/h2-5,7-8,17H,6H2,1H3
InChIKeyXDXIIZJHUXUZQJ-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-chloro-2-methylphenyl)methyl]-5-fluoropyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine
CID 114217557
3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline
CID 114075337
N-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-3-amine
CID 103845205
N-[(4-chloro-2-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 104854359
N-[(4-chloro-2-methylphenyl)methyl]-2-fluoro-6-methylaniline
CID 114075525
N-[(2-fluoro-5-methylphenyl)methyl]-5-methylpyridin-3-amine
CID 103824043
N-[(4-chloro-2-methylphenyl)methyl]-6-fluoropyridin-2-amine
CID 102808091
5-fluoro-N-[(2-methoxyphenyl)methyl]pyridin-3-amine
CID 113342955
N-[(4-chloro-2-methylphenyl)methyl]-1H-indazol-5-amine
CID 104854338
5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine
CID 104534685
3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841284
2-[4-[(4-chloro-2-methylphenyl)methylamino]phenyl]acetonitrile
CID 104854012

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]-5-fluoropyridin-3-amine?
The IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]-5-fluoropyridin-3-amine (CID 114217558) is N-[(4-chloro-2-methylphenyl)methyl]-5-fluoropyridin-3-amine.
What is the SMILES notation for N-[(4-chloro-2-methylphenyl)methyl]-5-fluoropyridin-3-amine?
The canonical SMILES for N-[(4-chloro-2-methylphenyl)methyl]-5-fluoropyridin-3-amine is Cc1cc(Cl)ccc1CNc1cncc(F)c1.
What is the InChIKey of N-[(4-chloro-2-methylphenyl)methyl]-5-fluoropyridin-3-amine?
The InChIKey is XDXIIZJHUXUZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-9-4-11(14)3-2-10(9)6-17-13-5-12(15)7-16-8-13/h2-5,7-8,17H,6H2,1H3.
What are the key properties of N-[(4-chloro-2-methylphenyl)methyl]-5-fluoropyridin-3-amine?
N-[(4-chloro-2-methylphenyl)methyl]-5-fluoropyridin-3-amine has a molecular weight of 250.70 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-methylphenyl)methyl]-5-fluoropyridin-3-amine is sourced from PubChem (CID 114217558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).