N-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine

C12H15ClFN — CID 115732712

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NCc2ccc(F)cc2Cl)C1
InChIInChI=1S/C12H15ClFN/c1-8-4-11(5-8)15-7-9-2-3-10(14)6-12(9)13/h2-3,6,8,11,15H,4-5,7H2,1H3
InChIKeyQCFLUVIOHSMGSD-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.37
Rot. Bonds3

About N-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine

N-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine (PubChem CID 115732712) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
PubChem CID115732712
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NCc2ccc(F)cc2Cl)C1
InChIInChI=1S/C12H15ClFN/c1-8-4-11(5-8)15-7-9-2-3-10(14)6-12(9)13/h2-3,6,8,11,15H,4-5,7H2,1H3
InChIKeyQCFLUVIOHSMGSD-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115732711
N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115968236
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044
2-[[(3,5-dimethylcyclohexyl)amino]methyl]-4-fluorophenol
CID 103948788
N-[(2-chloro-4-fluorophenyl)methyl]thian-4-amine
CID 115732355
N-[(2-chloro-4-nitrophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64733850
1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpiperidine
CID 22197972
N-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 65317887
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671641
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 28586559
2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol
CID 62359472
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103793218

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine (CID 115732712) is N-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine is CC1CC(NCc2ccc(F)cc2Cl)C1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine?
The InChIKey is QCFLUVIOHSMGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-8-4-11(5-8)15-7-9-2-3-10(14)6-12(9)13/h2-3,6,8,11,15H,4-5,7H2,1H3.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine?
N-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine has a molecular weight of 227.71 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 115732712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).