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

C12H15BrClN — CID 115908020

IUPACN-[(3-bromo-4-chlorophenyl)methyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NCc2ccc(Cl)c(Br)c2)C1
InChIInChI=1S/C12H15BrClN/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
InChIKeyVWQGMLHFEKMFPF-UHFFFAOYSA-N
MW288.62 g/mol
LogP3.99
Rot. Bonds3

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

N-[(3-bromo-4-chlorophenyl)methyl]-3-methylcyclobutan-1-amine (PubChem CID 115908020) has the molecular formula C12H15BrClN and a molecular weight of 288.62 g/mol. Its IUPAC name is N-[(3-bromo-4-chlorophenyl)methyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-chlorophenyl)methyl]-3-methylcyclobutan-1-amine
PubChem CID115908020
Molecular FormulaC12H15BrClN
Molecular Weight288.62 g/mol
Exact Mass287.01
IUPAC NameN-[(3-bromo-4-chlorophenyl)methyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NCc2ccc(Cl)c(Br)c2)C1
InChIInChI=1S/C12H15BrClN/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
InChIKeyVWQGMLHFEKMFPF-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.62
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671512
N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 106816870
N-[(3-bromo-4-chlorophenyl)methyl]-1,1-dioxothian-4-amine
CID 83235550
1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
CID 75355471
N-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 83235904
N-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 65317887
N-[(3-bromo-4-chlorophenyl)methyl]-1,1-dioxothian-3-amine
CID 83230750
ethyl 4-[(3-bromo-4-chlorophenyl)methylamino]cyclohexane-1-carboxylate
CID 83232807
tert-butyl 3-[(3-bromo-4-chlorophenyl)methylamino]azetidine-1-carboxylate
CID 107241982
[4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 83232075
N-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115732711
N-[(3-bromo-4-chlorophenyl)methyl]-1-cyclopentylethanamine
CID 83231090

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-3-methylcyclobutan-1-amine (CID 115908020) is N-[(3-bromo-4-chlorophenyl)methyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(3-bromo-4-chlorophenyl)methyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[(3-bromo-4-chlorophenyl)methyl]-3-methylcyclobutan-1-amine is CC1CC(NCc2ccc(Cl)c(Br)c2)C1.
What is the InChIKey of N-[(3-bromo-4-chlorophenyl)methyl]-3-methylcyclobutan-1-amine?
The InChIKey is VWQGMLHFEKMFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN/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-chlorophenyl)methyl]-3-methylcyclobutan-1-amine?
N-[(3-bromo-4-chlorophenyl)methyl]-3-methylcyclobutan-1-amine has a molecular weight of 288.62 g/mol, XLogP of 3.99, 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-chlorophenyl)methyl]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 115908020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).