(E)-3-[4-(4-bromophenyl)phenyl]-3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine

C23H21BrClN — CID 6443785

IUPAC(E)-3-[4-(4-bromophenyl)phenyl]-3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine
SMILESCN(C)C/C=C(/c1ccc(Cl)cc1)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H21BrClN/c1-26(2)16-15-23(20-9-13-22(25)14-10-20)19-5-3-17(4-6-19)18-7-11-21(24)12-8-18/h3-15H,16H2,1-2H3/b23-15+
InChIKeyOISHCEIEGCYJDH-HZHRSRAPSA-N
MW426.79 g/mol
LogP6.76
Rot. Bonds5

About (E)-3-[4-(4-bromophenyl)phenyl]-3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine

(E)-3-[4-(4-bromophenyl)phenyl]-3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine (PubChem CID 6443785) has the molecular formula C23H21BrClN and a molecular weight of 426.79 g/mol. Its IUPAC name is (E)-3-[4-(4-bromophenyl)phenyl]-3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[4-(4-bromophenyl)phenyl]-3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine
PubChem CID6443785
Molecular FormulaC23H21BrClN
Molecular Weight426.79 g/mol
Exact Mass425.05
IUPAC Name(E)-3-[4-(4-bromophenyl)phenyl]-3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine
SMILESCN(C)C/C=C(/c1ccc(Cl)cc1)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H21BrClN/c1-26(2)16-15-23(20-9-13-22(25)14-10-20)19-5-3-17(4-6-19)18-7-11-21(24)12-8-18/h3-15H,16H2,1-2H3/b23-15+
InChIKeyOISHCEIEGCYJDH-HZHRSRAPSA-N
XLogP6.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.79
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(4-bromophenyl)phenyl]-3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine?
The IUPAC name of (E)-3-[4-(4-bromophenyl)phenyl]-3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine (CID 6443785) is (E)-3-[4-(4-bromophenyl)phenyl]-3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-[4-(4-bromophenyl)phenyl]-3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine?
The canonical SMILES for (E)-3-[4-(4-bromophenyl)phenyl]-3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine is CN(C)C/C=C(/c1ccc(Cl)cc1)c1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of (E)-3-[4-(4-bromophenyl)phenyl]-3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine?
The InChIKey is OISHCEIEGCYJDH-HZHRSRAPSA-N. The full InChI is InChI=1S/C23H21BrClN/c1-26(2)16-15-23(20-9-13-22(25)14-10-20)19-5-3-17(4-6-19)18-7-11-21(24)12-8-18/h3-15H,16H2,1-2H3/b23-15+.
What are the key properties of (E)-3-[4-(4-bromophenyl)phenyl]-3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine?
(E)-3-[4-(4-bromophenyl)phenyl]-3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine has a molecular weight of 426.79 g/mol, XLogP of 6.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(4-bromophenyl)phenyl]-3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine is sourced from PubChem (CID 6443785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).