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

C12H15BrFN — CID 115671512

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NCc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C12H15BrFN/c1-8-4-10(5-8)15-7-9-2-3-12(14)11(13)6-9/h2-3,6,8,10,15H,4-5,7H2,1H3
InChIKeySXGJZKHBEKNLIQ-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.48
Rot. Bonds3

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

N-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine (PubChem CID 115671512) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
PubChem CID115671512
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NCc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C12H15BrFN/c1-8-4-10(5-8)15-7-9-2-3-12(14)11(13)6-9/h2-3,6,8,10,15H,4-5,7H2,1H3
InChIKeySXGJZKHBEKNLIQ-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-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 28551294
N-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397492
N-[(3-bromo-4-chlorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115908020
N-[(3-bromo-4-fluorophenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 113237893
N-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115732711
N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine
CID 82686499
N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861703
N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 106816870
N-[[1-[(3-bromo-4-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66405984
3,5-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64724021
N-[(5-bromofuran-3-yl)methyl]-3-methylcyclobutan-1-amine
CID 131042732
N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64745038

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine (CID 115671512) is N-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine is CC1CC(NCc2ccc(F)c(Br)c2)C1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine?
The InChIKey is SXGJZKHBEKNLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-8-4-10(5-8)15-7-9-2-3-12(14)11(13)6-9/h2-3,6,8,10,15H,4-5,7H2,1H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine?
N-[(3-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-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 115671512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).