1-(3-bromophenyl)azetidin-3-amine

C9H11BrN2 — CID 117002846

IUPAC1-(3-bromophenyl)azetidin-3-amine
SMILESNC1CN(c2cccc(Br)c2)C1
InChIInChI=1S/C9H11BrN2/c10-7-2-1-3-9(4-7)12-5-8(11)6-12/h1-4,8H,5-6,11H2
InChIKeyMMVJPFRXOXNJLU-UHFFFAOYSA-N
MW227.10 g/mol
LogP1.60
Rot. Bonds1

About 1-(3-bromophenyl)azetidin-3-amine

1-(3-bromophenyl)azetidin-3-amine (PubChem CID 117002846) has the molecular formula C9H11BrN2 and a molecular weight of 227.10 g/mol. Its IUPAC name is 1-(3-bromophenyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)azetidin-3-amine
PubChem CID117002846
Molecular FormulaC9H11BrN2
Molecular Weight227.10 g/mol
Exact Mass226.01
IUPAC Name1-(3-bromophenyl)azetidin-3-amine
SMILESNC1CN(c2cccc(Br)c2)C1
InChIInChI=1S/C9H11BrN2/c10-7-2-1-3-9(4-7)12-5-8(11)6-12/h1-4,8H,5-6,11H2
InChIKeyMMVJPFRXOXNJLU-UHFFFAOYSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromophenyl)azetidin-3-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 1-(3-bromophenyl)azetidin-3-amine?
The IUPAC name of 1-(3-bromophenyl)azetidin-3-amine (CID 117002846) is 1-(3-bromophenyl)azetidin-3-amine.
What is the SMILES notation for 1-(3-bromophenyl)azetidin-3-amine?
The canonical SMILES for 1-(3-bromophenyl)azetidin-3-amine is NC1CN(c2cccc(Br)c2)C1.
What is the InChIKey of 1-(3-bromophenyl)azetidin-3-amine?
The InChIKey is MMVJPFRXOXNJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2/c10-7-2-1-3-9(4-7)12-5-8(11)6-12/h1-4,8H,5-6,11H2.
What are the key properties of 1-(3-bromophenyl)azetidin-3-amine?
1-(3-bromophenyl)azetidin-3-amine has a molecular weight of 227.10 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)azetidin-3-amine is sourced from PubChem (CID 117002846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).