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

C10H13BrClNO — CID 146108131

IUPAC1-(4-bromo-3-methoxyphenyl)cyclopropan-1-amine;hydrochloride
SMILESCOc1cc(C2(N)CC2)ccc1Br.Cl
InChIInChI=1S/C10H12BrNO.ClH/c1-13-9-6-7(2-3-8(9)11)10(12)4-5-10;/h2-3,6H,4-5,12H2,1H3;1H
InChIKeyDLSKGBRHVNWWEP-UHFFFAOYSA-N
MW278.58 g/mol
LogP2.83
Rot. Bonds2

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

1-(4-bromo-3-methoxyphenyl)cyclopropan-1-amine;hydrochloride (PubChem CID 146108131) has the molecular formula C10H13BrClNO and a molecular weight of 278.58 g/mol. Its IUPAC name is 1-(4-bromo-3-methoxyphenyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-bromo-3-methoxyphenyl)cyclopropan-1-amine;hydrochloride
PubChem CID146108131
Molecular FormulaC10H13BrClNO
Molecular Weight278.58 g/mol
Exact Mass276.99
IUPAC Name1-(4-bromo-3-methoxyphenyl)cyclopropan-1-amine;hydrochloride
SMILESCOc1cc(C2(N)CC2)ccc1Br.Cl
InChIInChI=1S/C10H12BrNO.ClH/c1-13-9-6-7(2-3-8(9)11)10(12)4-5-10;/h2-3,6H,4-5,12H2,1H3;1H
InChIKeyDLSKGBRHVNWWEP-UHFFFAOYSA-N
XLogP2.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-3-methoxyphenyl)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-methoxyphenyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-(4-bromo-3-methoxyphenyl)cyclopropan-1-amine;hydrochloride (CID 146108131) is 1-(4-bromo-3-methoxyphenyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-(4-bromo-3-methoxyphenyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-(4-bromo-3-methoxyphenyl)cyclopropan-1-amine;hydrochloride is COc1cc(C2(N)CC2)ccc1Br.Cl.
What is the InChIKey of 1-(4-bromo-3-methoxyphenyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is DLSKGBRHVNWWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO.ClH/c1-13-9-6-7(2-3-8(9)11)10(12)4-5-10;/h2-3,6H,4-5,12H2,1H3;1H.
What are the key properties of 1-(4-bromo-3-methoxyphenyl)cyclopropan-1-amine;hydrochloride?
1-(4-bromo-3-methoxyphenyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 278.58 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methoxyphenyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 146108131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).