4-(4-bromophenyl)-N-phenylaniline

C18H14BrN — CID 10245666

IUPAC4-(4-bromophenyl)-N-phenylaniline
SMILESBrc1ccc(-c2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C18H14BrN/c19-16-10-6-14(7-11-16)15-8-12-18(13-9-15)20-17-4-2-1-3-5-17/h1-13,20H
InChIKeyGBLRXOBYRATKQN-UHFFFAOYSA-N
MW324.22 g/mol
LogP5.86
Rot. Bonds3

About 4-(4-bromophenyl)-N-phenylaniline

4-(4-bromophenyl)-N-phenylaniline (PubChem CID 10245666) has the molecular formula C18H14BrN and a molecular weight of 324.22 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-phenylaniline.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-phenylaniline
PubChem CID10245666
Molecular FormulaC18H14BrN
Molecular Weight324.22 g/mol
Exact Mass323.03
IUPAC Name4-(4-bromophenyl)-N-phenylaniline
SMILESBrc1ccc(-c2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C18H14BrN/c19-16-10-6-14(7-11-16)15-8-12-18(13-9-15)20-17-4-2-1-3-5-17/h1-13,20H
InChIKeyGBLRXOBYRATKQN-UHFFFAOYSA-N
XLogP5.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.22
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-Diphenylbenzidine
CID 68280
(3aS,6aR)-4-(4-bromophenyl)-5-[(4E)-oct-4-en-4-yl]-N-phenyl-1,2,3,3a,6,6a-hexahydropentalen-3a-amine
CID 24825423
Bis-biphenyl-4-yl-amine
CID 504244
N-phenyl-(1,1'-biphenyl)-4-amine
CID 13087229
Benzenamine, 4-(1-methyl-1-phenylethyl)-N-phenyl-
CID 3085677
N-(4-bromophenyl)-2,4,6-trimethylaniline
CID 12099906
N-(3-bromophenyl)-2,4,6-trimethylaniline
CID 127044709
4'-Bromo-[1,1'-biphenyl]-4-amine
CID 279574
4-Bromo-4',4''-dimethyltriphenylamine
CID 11142701
4-(4-bromophenyl)-N-methylaniline
CID 15622586
4-[(E)-2-(4-bromophenyl)ethenyl]-N-methylaniline
CID 49870902
4-[(Z)-1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)prop-1-enyl]aniline
CID 6476757

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-phenylaniline?
The IUPAC name of 4-(4-bromophenyl)-N-phenylaniline (CID 10245666) is 4-(4-bromophenyl)-N-phenylaniline.
What is the SMILES notation for 4-(4-bromophenyl)-N-phenylaniline?
The canonical SMILES for 4-(4-bromophenyl)-N-phenylaniline is Brc1ccc(-c2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-phenylaniline?
The InChIKey is GBLRXOBYRATKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN/c19-16-10-6-14(7-11-16)15-8-12-18(13-9-15)20-17-4-2-1-3-5-17/h1-13,20H.
What are the key properties of 4-(4-bromophenyl)-N-phenylaniline?
4-(4-bromophenyl)-N-phenylaniline has a molecular weight of 324.22 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-phenylaniline is sourced from PubChem (CID 10245666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).