N-[(4-chloro-2-methylphenyl)methyl]-6-fluoropyridin-2-amine

C13H12ClFN2 — CID 102808091

IUPACN-[(4-chloro-2-methylphenyl)methyl]-6-fluoropyridin-2-amine
SMILESCc1cc(Cl)ccc1CNc1cccc(F)n1
InChIInChI=1S/C13H12ClFN2/c1-9-7-11(14)6-5-10(9)8-16-13-4-2-3-12(15)17-13/h2-7H,8H2,1H3,(H,16,17)
InChIKeyWYQCDAOSAUSZDY-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.79
Rot. Bonds3

About N-[(4-chloro-2-methylphenyl)methyl]-6-fluoropyridin-2-amine

N-[(4-chloro-2-methylphenyl)methyl]-6-fluoropyridin-2-amine (PubChem CID 102808091) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is N-[(4-chloro-2-methylphenyl)methyl]-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-methylphenyl)methyl]-6-fluoropyridin-2-amine
PubChem CID102808091
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC NameN-[(4-chloro-2-methylphenyl)methyl]-6-fluoropyridin-2-amine
SMILESCc1cc(Cl)ccc1CNc1cccc(F)n1
InChIInChI=1S/C13H12ClFN2/c1-9-7-11(14)6-5-10(9)8-16-13-4-2-3-12(15)17-13/h2-7H,8H2,1H3,(H,16,17)
InChIKeyWYQCDAOSAUSZDY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-6-fluoropyridin-2-amine
CID 115591104
N-[(4-chloro-2-methylphenyl)methyl]-2-fluoro-6-methylaniline
CID 114075525
N-[(4-chloro-2-methylphenyl)methyl]-5-fluoropyridin-3-amine
CID 114217558
4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine
CID 133327888
1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104853852
N-[(3-bromo-4-fluorophenyl)methyl]-6-fluoropyridin-2-amine
CID 113228051
6-chloro-N-[(4-chloro-2-methylphenyl)methyl]-2-methylpyridin-3-amine
CID 114075588
N-[(5-chlorothiophen-2-yl)methyl]-6-fluoropyridin-2-amine
CID 61397845
N-[(2,4-difluoro-5-nitrophenyl)methyl]-6-fluoropyridin-2-amine
CID 116812899
3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline
CID 114075337
1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 104854183
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline
CID 114075335

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]-6-fluoropyridin-2-amine?
The IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]-6-fluoropyridin-2-amine (CID 102808091) is N-[(4-chloro-2-methylphenyl)methyl]-6-fluoropyridin-2-amine.
What is the SMILES notation for N-[(4-chloro-2-methylphenyl)methyl]-6-fluoropyridin-2-amine?
The canonical SMILES for N-[(4-chloro-2-methylphenyl)methyl]-6-fluoropyridin-2-amine is Cc1cc(Cl)ccc1CNc1cccc(F)n1.
What is the InChIKey of N-[(4-chloro-2-methylphenyl)methyl]-6-fluoropyridin-2-amine?
The InChIKey is WYQCDAOSAUSZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-9-7-11(14)6-5-10(9)8-16-13-4-2-3-12(15)17-13/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of N-[(4-chloro-2-methylphenyl)methyl]-6-fluoropyridin-2-amine?
N-[(4-chloro-2-methylphenyl)methyl]-6-fluoropyridin-2-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]-6-fluoropyridin-2-amine is sourced from PubChem (CID 102808091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).