5-bromo-2-cyclopropylaniline

C9H10BrN — CID 4712248

IUPAC5-bromo-2-cyclopropylaniline
SMILESNc1cc(Br)ccc1C1CC1
InChIInChI=1S/C9H10BrN/c10-7-3-4-8(6-1-2-6)9(11)5-7/h3-6H,1-2,11H2
InChIKeyPJUKQEFUOIIPHR-UHFFFAOYSA-N
MW212.09 g/mol
LogP2.91
Rot. Bonds1

About 5-bromo-2-cyclopropylaniline

5-bromo-2-cyclopropylaniline (PubChem CID 4712248) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is 5-bromo-2-cyclopropylaniline.

Molecular Properties

Compound Name5-bromo-2-cyclopropylaniline
PubChem CID4712248
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name5-bromo-2-cyclopropylaniline
SMILESNc1cc(Br)ccc1C1CC1
InChIInChI=1S/C9H10BrN/c10-7-3-4-8(6-1-2-6)9(11)5-7/h3-6H,1-2,11H2
InChIKeyPJUKQEFUOIIPHR-UHFFFAOYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-bromo-2-cyclopropylaniline 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 5-bromo-2-cyclopropylaniline?
The IUPAC name of 5-bromo-2-cyclopropylaniline (CID 4712248) is 5-bromo-2-cyclopropylaniline.
What is the SMILES notation for 5-bromo-2-cyclopropylaniline?
The canonical SMILES for 5-bromo-2-cyclopropylaniline is Nc1cc(Br)ccc1C1CC1.
What is the InChIKey of 5-bromo-2-cyclopropylaniline?
The InChIKey is PJUKQEFUOIIPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN/c10-7-3-4-8(6-1-2-6)9(11)5-7/h3-6H,1-2,11H2.
What are the key properties of 5-bromo-2-cyclopropylaniline?
5-bromo-2-cyclopropylaniline has a molecular weight of 212.09 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopropylaniline is sourced from PubChem (CID 4712248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).