4-[(Z)-1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)prop-1-enyl]aniline

C23H23BrN2 — CID 6476757

IUPAC4-[(Z)-1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)prop-1-enyl]aniline
SMILESCN(C)C/C=C(\c1ccc(N)cc1)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H23BrN2/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,16,25H2,1-2H3/b23-15-
InChIKeyDJBIARWMNKZFSO-HAHDFKILSA-N
MW407.36 g/mol
LogP5.69
Rot. Bonds5

About 4-[(Z)-1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)prop-1-enyl]aniline

4-[(Z)-1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)prop-1-enyl]aniline (PubChem CID 6476757) has the molecular formula C23H23BrN2 and a molecular weight of 407.36 g/mol. Its IUPAC name is 4-[(Z)-1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)prop-1-enyl]aniline.

Molecular Properties

Compound Name4-[(Z)-1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)prop-1-enyl]aniline
PubChem CID6476757
Molecular FormulaC23H23BrN2
Molecular Weight407.36 g/mol
Exact Mass406.10
IUPAC Name4-[(Z)-1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)prop-1-enyl]aniline
SMILESCN(C)C/C=C(\c1ccc(N)cc1)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H23BrN2/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,16,25H2,1-2H3/b23-15-
InChIKeyDJBIARWMNKZFSO-HAHDFKILSA-N
XLogP5.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.36
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)prop-1-enyl]aniline?
The IUPAC name of 4-[(Z)-1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)prop-1-enyl]aniline (CID 6476757) is 4-[(Z)-1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)prop-1-enyl]aniline.
What is the SMILES notation for 4-[(Z)-1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)prop-1-enyl]aniline?
The canonical SMILES for 4-[(Z)-1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)prop-1-enyl]aniline is CN(C)C/C=C(\c1ccc(N)cc1)c1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(Z)-1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)prop-1-enyl]aniline?
The InChIKey is DJBIARWMNKZFSO-HAHDFKILSA-N. The full InChI is InChI=1S/C23H23BrN2/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,16,25H2,1-2H3/b23-15-.
What are the key properties of 4-[(Z)-1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)prop-1-enyl]aniline?
4-[(Z)-1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)prop-1-enyl]aniline has a molecular weight of 407.36 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)prop-1-enyl]aniline is sourced from PubChem (CID 6476757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).