N-[1-(4-bromophenyl)ethyl]-3-phenylcyclobutan-1-amine

C18H20BrN — CID 63453740

IUPACN-[1-(4-bromophenyl)ethyl]-3-phenylcyclobutan-1-amine
SMILESCC(NC1CC(c2ccccc2)C1)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrN/c1-13(14-7-9-17(19)10-8-14)20-18-11-16(12-18)15-5-3-2-4-6-15/h2-10,13,16,18,20H,11-12H2,1H3
InChIKeyQORUSVZZUKMVJR-UHFFFAOYSA-N
MW330.27 g/mol
LogP5.05
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-3-phenylcyclobutan-1-amine

N-[1-(4-bromophenyl)ethyl]-3-phenylcyclobutan-1-amine (PubChem CID 63453740) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-3-phenylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-3-phenylcyclobutan-1-amine
PubChem CID63453740
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC NameN-[1-(4-bromophenyl)ethyl]-3-phenylcyclobutan-1-amine
SMILESCC(NC1CC(c2ccccc2)C1)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrN/c1-13(14-7-9-17(19)10-8-14)20-18-11-16(12-18)15-5-3-2-4-6-15/h2-10,13,16,18,20H,11-12H2,1H3
InChIKeyQORUSVZZUKMVJR-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.27
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(4-bromophenyl)ethyl]-3-phenylcyclobutan-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

Related Compounds

3-(4-bromophenyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutan-1-amine
CID 81356335
3-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]cyclobutan-1-amine
CID 81349096
3-(4-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine
CID 107167617
N-[1-(4-bromophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64753603
3-(4-bromophenyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634204
N-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 81350272
3-(4-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81351603
3-phenyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine
CID 43632220
N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 81375684
N-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 60945450
N-but-3-yn-2-yl-3-phenylcyclobutan-1-amine
CID 114415383

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-phenylcyclobutan-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-phenylcyclobutan-1-amine (CID 63453740) is N-[1-(4-bromophenyl)ethyl]-3-phenylcyclobutan-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-3-phenylcyclobutan-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-3-phenylcyclobutan-1-amine is CC(NC1CC(c2ccccc2)C1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-3-phenylcyclobutan-1-amine?
The InChIKey is QORUSVZZUKMVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c1-13(14-7-9-17(19)10-8-14)20-18-11-16(12-18)15-5-3-2-4-6-15/h2-10,13,16,18,20H,11-12H2,1H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-3-phenylcyclobutan-1-amine?
N-[1-(4-bromophenyl)ethyl]-3-phenylcyclobutan-1-amine has a molecular weight of 330.27 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-3-phenylcyclobutan-1-amine is sourced from PubChem (CID 63453740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).