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

C12H15BrFN — CID 115765892

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
SMILESCC1(NCc2ccc(F)c(Br)c2)CCC1
InChIInChI=1S/C12H15BrFN/c1-12(5-2-6-12)15-8-9-3-4-11(14)10(13)7-9/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyZOLJMBKTLSFTBN-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.62
Rot. Bonds3

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

N-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine (PubChem CID 115765892) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
PubChem CID115765892
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
SMILESCC1(NCc2ccc(F)c(Br)c2)CCC1
InChIInChI=1S/C12H15BrFN/c1-12(5-2-6-12)15-8-9-3-4-11(14)10(13)7-9/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyZOLJMBKTLSFTBN-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-1-methylcyclopropan-1-amine
CID 115702499
N-[(4-bromo-3-methylphenyl)methyl]-1-methylcyclohexan-1-amine
CID 66473220
1-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclobutan-1-amine
CID 115765781
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine
CID 107342298
1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
CID 114124598
N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861703
4-[[(1-methylcyclobutyl)amino]methyl]benzene-1,2-diol
CID 115978825
N-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765891
2,6-dibromo-4-[[(1-methylcyclohexyl)amino]methyl]phenol
CID 107740736
N-[(3,4-difluorophenyl)methyl]-3-methyloxan-3-amine
CID 113348018
N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine
CID 82686499
N'-[(3-bromo-4-fluorophenyl)methyl]-N-ethylethane-1,2-diamine
CID 107951053

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine (CID 115765892) is N-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine is CC1(NCc2ccc(F)c(Br)c2)CCC1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine?
The InChIKey is ZOLJMBKTLSFTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-12(5-2-6-12)15-8-9-3-4-11(14)10(13)7-9/h3-4,7,15H,2,5-6,8H2,1H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine?
N-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine has a molecular weight of 272.16 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine is sourced from PubChem (CID 115765892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).