1-(4-bromo-3-chlorophenyl)cyclopropan-1-amine;hydrochloride

C9H10BrCl2N — CID 146049863

IUPAC1-(4-bromo-3-chlorophenyl)cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2ccc(Br)c(Cl)c2)CC1
InChIInChI=1S/C9H9BrClN.ClH/c10-7-2-1-6(5-8(7)11)9(12)3-4-9;/h1-2,5H,3-4,12H2;1H
InChIKeyAGRPWSNUSALSPN-UHFFFAOYSA-N
MW283.00 g/mol
LogP3.47
Rot. Bonds1

About 1-(4-bromo-3-chlorophenyl)cyclopropan-1-amine;hydrochloride

1-(4-bromo-3-chlorophenyl)cyclopropan-1-amine;hydrochloride (PubChem CID 146049863) has the molecular formula C9H10BrCl2N and a molecular weight of 283.00 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)cyclopropan-1-amine;hydrochloride
PubChem CID146049863
Molecular FormulaC9H10BrCl2N
Molecular Weight283.00 g/mol
Exact Mass280.94
IUPAC Name1-(4-bromo-3-chlorophenyl)cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2ccc(Br)c(Cl)c2)CC1
InChIInChI=1S/C9H9BrClN.ClH/c10-7-2-1-6(5-8(7)11)9(12)3-4-9;/h1-2,5H,3-4,12H2;1H
InChIKeyAGRPWSNUSALSPN-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.00
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromo-3-chlorophenyl)cyclopropan-1-amine;hydrochloride 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-(4-bromo-3-chlorophenyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)cyclopropan-1-amine;hydrochloride (CID 146049863) is 1-(4-bromo-3-chlorophenyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)cyclopropan-1-amine;hydrochloride is Cl.NC1(c2ccc(Br)c(Cl)c2)CC1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is AGRPWSNUSALSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN.ClH/c10-7-2-1-6(5-8(7)11)9(12)3-4-9;/h1-2,5H,3-4,12H2;1H.
What are the key properties of 1-(4-bromo-3-chlorophenyl)cyclopropan-1-amine;hydrochloride?
1-(4-bromo-3-chlorophenyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 283.00 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 146049863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).