3-(2-bromophenyl)cyclobutan-1-amine

C10H12BrN — CID 43632394

IUPAC3-(2-bromophenyl)cyclobutan-1-amine
SMILESNC1CC(c2ccccc2Br)C1
InChIInChI=1S/C10H12BrN/c11-10-4-2-1-3-9(10)7-5-8(12)6-7/h1-4,7-8H,5-6,12H2
InChIKeyLNVHKYTUWGMIFR-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.65
Rot. Bonds1

About 3-(2-bromophenyl)cyclobutan-1-amine

3-(2-bromophenyl)cyclobutan-1-amine (PubChem CID 43632394) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 3-(2-bromophenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)cyclobutan-1-amine
PubChem CID43632394
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name3-(2-bromophenyl)cyclobutan-1-amine
SMILESNC1CC(c2ccccc2Br)C1
InChIInChI=1S/C10H12BrN/c11-10-4-2-1-3-9(10)7-5-8(12)6-7/h1-4,7-8H,5-6,12H2
InChIKeyLNVHKYTUWGMIFR-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2-bromophenyl)cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-bromophenyl)cyclobutan-1-amine (CID 43632394) is 3-(2-bromophenyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)cyclobutan-1-amine is NC1CC(c2ccccc2Br)C1.
What is the InChIKey of 3-(2-bromophenyl)cyclobutan-1-amine?
The InChIKey is LNVHKYTUWGMIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c11-10-4-2-1-3-9(10)7-5-8(12)6-7/h1-4,7-8H,5-6,12H2.
What are the key properties of 3-(2-bromophenyl)cyclobutan-1-amine?
3-(2-bromophenyl)cyclobutan-1-amine has a molecular weight of 226.12 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)cyclobutan-1-amine is sourced from PubChem (CID 43632394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).