1-(4-bromophenyl)-2-(2,5-dimethylphenyl)propan-2-amine

C17H20BrN — CID 55186203

IUPAC1-(4-bromophenyl)-2-(2,5-dimethylphenyl)propan-2-amine
SMILESCc1ccc(C)c(C(C)(N)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C17H20BrN/c1-12-4-5-13(2)16(10-12)17(3,19)11-14-6-8-15(18)9-7-14/h4-10H,11,19H2,1-3H3
InChIKeyKDPUSBNFQROLFS-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.48
Rot. Bonds3

About 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)propan-2-amine

1-(4-bromophenyl)-2-(2,5-dimethylphenyl)propan-2-amine (PubChem CID 55186203) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2,5-dimethylphenyl)propan-2-amine
PubChem CID55186203
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name1-(4-bromophenyl)-2-(2,5-dimethylphenyl)propan-2-amine
SMILESCc1ccc(C)c(C(C)(N)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C17H20BrN/c1-12-4-5-13(2)16(10-12)17(3,19)11-14-6-8-15(18)9-7-14/h4-10H,11,19H2,1-3H3
InChIKeyKDPUSBNFQROLFS-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)propan-2-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-(4-bromophenyl)-2-(2,5-dimethylphenyl)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)propan-2-amine (CID 55186203) is 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)propan-2-amine is Cc1ccc(C)c(C(C)(N)Cc2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)propan-2-amine?
The InChIKey is KDPUSBNFQROLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-12-4-5-13(2)16(10-12)17(3,19)11-14-6-8-15(18)9-7-14/h4-10H,11,19H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)propan-2-amine?
1-(4-bromophenyl)-2-(2,5-dimethylphenyl)propan-2-amine has a molecular weight of 318.26 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 55186203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).