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

C12H15BrFN — CID 115732711

IUPACN-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NCc2ccc(F)cc2Br)C1
InChIInChI=1S/C12H15BrFN/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
InChIKeyBKWCPNIFZXBXMF-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.48
Rot. Bonds3

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

N-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine (PubChem CID 115732711) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
PubChem CID115732711
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NCc2ccc(F)cc2Br)C1
InChIInChI=1S/C12H15BrFN/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
InChIKeyBKWCPNIFZXBXMF-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115732712
N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115968236
2-[[(3,5-dimethylcyclohexyl)amino]methyl]-4-fluorophenol
CID 103948788
N-[(2-bromo-4-fluorophenyl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 43628921
N-[(2-bromo-4-fluorophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 103792535
N-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671512
N-[(2-bromo-5-fluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64746999
N-[(3-bromo-4-chlorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115908020
N-[(2-bromo-5-fluorophenyl)methyl]cyclopent-3-en-1-amine
CID 115777600
N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylcyclobutan-1-amine
CID 115892417
N-[(2-bromo-4-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43199350
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317429

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine (CID 115732711) is N-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine is CC1CC(NCc2ccc(F)cc2Br)C1.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine?
The InChIKey is BKWCPNIFZXBXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/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-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine?
N-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine has a molecular weight of 272.16 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 115732711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).