3-[2-(4-bromophenyl)phenyl]propan-1-amine;hydrochloride

C15H17BrClN — CID 174475593

IUPAC3-[2-(4-bromophenyl)phenyl]propan-1-amine;hydrochloride
SMILESCl.NCCCc1ccccc1-c1ccc(Br)cc1
InChIInChI=1S/C15H16BrN.ClH/c16-14-9-7-13(8-10-14)15-6-2-1-4-12(15)5-3-11-17;/h1-2,4,6-10H,3,5,11,17H2;1H
InChIKeyOHHWMBJBMUHSGR-UHFFFAOYSA-N
MW326.66 g/mol
LogP4.43
Rot. Bonds4

About 3-[2-(4-bromophenyl)phenyl]propan-1-amine;hydrochloride

3-[2-(4-bromophenyl)phenyl]propan-1-amine;hydrochloride (PubChem CID 174475593) has the molecular formula C15H17BrClN and a molecular weight of 326.66 g/mol. Its IUPAC name is 3-[2-(4-bromophenyl)phenyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[2-(4-bromophenyl)phenyl]propan-1-amine;hydrochloride
PubChem CID174475593
Molecular FormulaC15H17BrClN
Molecular Weight326.66 g/mol
Exact Mass325.02
IUPAC Name3-[2-(4-bromophenyl)phenyl]propan-1-amine;hydrochloride
SMILESCl.NCCCc1ccccc1-c1ccc(Br)cc1
InChIInChI=1S/C15H16BrN.ClH/c16-14-9-7-13(8-10-14)15-6-2-1-4-12(15)5-3-11-17;/h1-2,4,6-10H,3,5,11,17H2;1H
InChIKeyOHHWMBJBMUHSGR-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.66
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[2-(4-bromophenyl)phenyl]propan-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 3-[2-(4-bromophenyl)phenyl]propan-1-amine;hydrochloride?
The IUPAC name of 3-[2-(4-bromophenyl)phenyl]propan-1-amine;hydrochloride (CID 174475593) is 3-[2-(4-bromophenyl)phenyl]propan-1-amine;hydrochloride.
What is the SMILES notation for 3-[2-(4-bromophenyl)phenyl]propan-1-amine;hydrochloride?
The canonical SMILES for 3-[2-(4-bromophenyl)phenyl]propan-1-amine;hydrochloride is Cl.NCCCc1ccccc1-c1ccc(Br)cc1.
What is the InChIKey of 3-[2-(4-bromophenyl)phenyl]propan-1-amine;hydrochloride?
The InChIKey is OHHWMBJBMUHSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN.ClH/c16-14-9-7-13(8-10-14)15-6-2-1-4-12(15)5-3-11-17;/h1-2,4,6-10H,3,5,11,17H2;1H.
What are the key properties of 3-[2-(4-bromophenyl)phenyl]propan-1-amine;hydrochloride?
3-[2-(4-bromophenyl)phenyl]propan-1-amine;hydrochloride has a molecular weight of 326.66 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromophenyl)phenyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 174475593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).