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

C23H21BrIN — CID 6476752

IUPAC(Z)-3-[4-(4-bromophenyl)phenyl]-3-(4-iodophenyl)-N,N-dimethylprop-2-en-1-amine
SMILESCN(C)C/C=C(\c1ccc(I)cc1)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H21BrIN/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-
InChIKeyKLBZUDINEFIXAF-HAHDFKILSA-N
MW518.24 g/mol
LogP6.71
Rot. Bonds5

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

(Z)-3-[4-(4-bromophenyl)phenyl]-3-(4-iodophenyl)-N,N-dimethylprop-2-en-1-amine (PubChem CID 6476752) has the molecular formula C23H21BrIN and a molecular weight of 518.24 g/mol. Its IUPAC name is (Z)-3-[4-(4-bromophenyl)phenyl]-3-(4-iodophenyl)-N,N-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-[4-(4-bromophenyl)phenyl]-3-(4-iodophenyl)-N,N-dimethylprop-2-en-1-amine
PubChem CID6476752
Molecular FormulaC23H21BrIN
Molecular Weight518.24 g/mol
Exact Mass516.99
IUPAC Name(Z)-3-[4-(4-bromophenyl)phenyl]-3-(4-iodophenyl)-N,N-dimethylprop-2-en-1-amine
SMILESCN(C)C/C=C(\c1ccc(I)cc1)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H21BrIN/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-
InChIKeyKLBZUDINEFIXAF-HAHDFKILSA-N
XLogP6.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.24
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-(4-bromophenyl)phenyl]-3-(4-iodophenyl)-N,N-dimethylprop-2-en-1-amine?
The IUPAC name of (Z)-3-[4-(4-bromophenyl)phenyl]-3-(4-iodophenyl)-N,N-dimethylprop-2-en-1-amine (CID 6476752) is (Z)-3-[4-(4-bromophenyl)phenyl]-3-(4-iodophenyl)-N,N-dimethylprop-2-en-1-amine.
What is the SMILES notation for (Z)-3-[4-(4-bromophenyl)phenyl]-3-(4-iodophenyl)-N,N-dimethylprop-2-en-1-amine?
The canonical SMILES for (Z)-3-[4-(4-bromophenyl)phenyl]-3-(4-iodophenyl)-N,N-dimethylprop-2-en-1-amine is CN(C)C/C=C(\c1ccc(I)cc1)c1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of (Z)-3-[4-(4-bromophenyl)phenyl]-3-(4-iodophenyl)-N,N-dimethylprop-2-en-1-amine?
The InChIKey is KLBZUDINEFIXAF-HAHDFKILSA-N. The full InChI is InChI=1S/C23H21BrIN/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 (Z)-3-[4-(4-bromophenyl)phenyl]-3-(4-iodophenyl)-N,N-dimethylprop-2-en-1-amine?
(Z)-3-[4-(4-bromophenyl)phenyl]-3-(4-iodophenyl)-N,N-dimethylprop-2-en-1-amine has a molecular weight of 518.24 g/mol, XLogP of 6.71, 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]-3-(4-iodophenyl)-N,N-dimethylprop-2-en-1-amine is sourced from PubChem (CID 6476752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).