3-(4-bromophenyl)-N-[(1-methoxycyclobutyl)methyl]cyclobutan-1-amine

C16H22BrNO — CID 107167822

IUPAC3-(4-bromophenyl)-N-[(1-methoxycyclobutyl)methyl]cyclobutan-1-amine
SMILESCOC1(CNC2CC(c3ccc(Br)cc3)C2)CCC1
InChIInChI=1S/C16H22BrNO/c1-19-16(7-2-8-16)11-18-15-9-13(10-15)12-3-5-14(17)6-4-12/h3-6,13,15,18H,2,7-11H2,1H3
InChIKeyBUAFWAGEJSMZMC-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.85
Rot. Bonds5

About 3-(4-bromophenyl)-N-[(1-methoxycyclobutyl)methyl]cyclobutan-1-amine

3-(4-bromophenyl)-N-[(1-methoxycyclobutyl)methyl]cyclobutan-1-amine (PubChem CID 107167822) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[(1-methoxycyclobutyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[(1-methoxycyclobutyl)methyl]cyclobutan-1-amine
PubChem CID107167822
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name3-(4-bromophenyl)-N-[(1-methoxycyclobutyl)methyl]cyclobutan-1-amine
SMILESCOC1(CNC2CC(c3ccc(Br)cc3)C2)CCC1
InChIInChI=1S/C16H22BrNO/c1-19-16(7-2-8-16)11-18-15-9-13(10-15)12-3-5-14(17)6-4-12/h3-6,13,15,18H,2,7-11H2,1H3
InChIKeyBUAFWAGEJSMZMC-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromophenyl)-N-[(1-methoxycyclobutyl)methyl]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-(4-bromophenyl)-N-[(1-methoxycyclobutyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-[(1-methoxycyclobutyl)methyl]cyclobutan-1-amine (CID 107167822) is 3-(4-bromophenyl)-N-[(1-methoxycyclobutyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-[(1-methoxycyclobutyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-[(1-methoxycyclobutyl)methyl]cyclobutan-1-amine is COC1(CNC2CC(c3ccc(Br)cc3)C2)CCC1.
What is the InChIKey of 3-(4-bromophenyl)-N-[(1-methoxycyclobutyl)methyl]cyclobutan-1-amine?
The InChIKey is BUAFWAGEJSMZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-19-16(7-2-8-16)11-18-15-9-13(10-15)12-3-5-14(17)6-4-12/h3-6,13,15,18H,2,7-11H2,1H3.
What are the key properties of 3-(4-bromophenyl)-N-[(1-methoxycyclobutyl)methyl]cyclobutan-1-amine?
3-(4-bromophenyl)-N-[(1-methoxycyclobutyl)methyl]cyclobutan-1-amine has a molecular weight of 324.26 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-[(1-methoxycyclobutyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 107167822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).