(Z)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-phenylprop-2-en-1-amine

C23H22BrN — CID 6476759

IUPAC(Z)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-phenylprop-2-en-1-amine
SMILESCN(C)C/C=C(/c1ccccc1)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H22BrN/c1-25(2)17-16-23(20-6-4-3-5-7-20)21-10-8-18(9-11-21)19-12-14-22(24)15-13-19/h3-16H,17H2,1-2H3/b23-16-
InChIKeyIYLTUBLSLDSKPC-KQWNVCNZSA-N
MW392.34 g/mol
LogP6.11
Rot. Bonds5

About (Z)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-phenylprop-2-en-1-amine

(Z)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-phenylprop-2-en-1-amine (PubChem CID 6476759) has the molecular formula C23H22BrN and a molecular weight of 392.34 g/mol. Its IUPAC name is (Z)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-phenylprop-2-en-1-amine
PubChem CID6476759
Molecular FormulaC23H22BrN
Molecular Weight392.34 g/mol
Exact Mass391.09
IUPAC Name(Z)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-phenylprop-2-en-1-amine
SMILESCN(C)C/C=C(/c1ccccc1)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H22BrN/c1-25(2)17-16-23(20-6-4-3-5-7-20)21-10-8-18(9-11-21)19-12-14-22(24)15-13-19/h3-16H,17H2,1-2H3/b23-16-
InChIKeyIYLTUBLSLDSKPC-KQWNVCNZSA-N
XLogP6.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.34
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (Z)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-phenylprop-2-en-1-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 (Z)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-phenylprop-2-en-1-amine?
The IUPAC name of (Z)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-phenylprop-2-en-1-amine (CID 6476759) is (Z)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (Z)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for (Z)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-phenylprop-2-en-1-amine is CN(C)C/C=C(/c1ccccc1)c1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of (Z)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-phenylprop-2-en-1-amine?
The InChIKey is IYLTUBLSLDSKPC-KQWNVCNZSA-N. The full InChI is InChI=1S/C23H22BrN/c1-25(2)17-16-23(20-6-4-3-5-7-20)21-10-8-18(9-11-21)19-12-14-22(24)15-13-19/h3-16H,17H2,1-2H3/b23-16-.
What are the key properties of (Z)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-phenylprop-2-en-1-amine?
(Z)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-phenylprop-2-en-1-amine has a molecular weight of 392.34 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 6476759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).