2-bromo-N-(4-methylphenyl)-N-phenylaniline

C19H16BrN — CID 138413970

IUPAC2-bromo-N-(4-methylphenyl)-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccccc2Br)cc1
InChIInChI=1S/C19H16BrN/c1-15-11-13-17(14-12-15)21(16-7-3-2-4-8-16)19-10-6-5-9-18(19)20/h2-14H,1H3
InChIKeyYCCCNUJWZAODAZ-UHFFFAOYSA-N
MW338.25 g/mol
LogP6.23
Rot. Bonds3

About 2-bromo-N-(4-methylphenyl)-N-phenylaniline

2-bromo-N-(4-methylphenyl)-N-phenylaniline (PubChem CID 138413970) has the molecular formula C19H16BrN and a molecular weight of 338.25 g/mol. Its IUPAC name is 2-bromo-N-(4-methylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name2-bromo-N-(4-methylphenyl)-N-phenylaniline
PubChem CID138413970
Molecular FormulaC19H16BrN
Molecular Weight338.25 g/mol
Exact Mass337.05
IUPAC Name2-bromo-N-(4-methylphenyl)-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccccc2Br)cc1
InChIInChI=1S/C19H16BrN/c1-15-11-13-17(14-12-15)21(16-7-3-2-4-8-16)19-10-6-5-9-18(19)20/h2-14H,1H3
InChIKeyYCCCNUJWZAODAZ-UHFFFAOYSA-N
XLogP6.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.25
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-iodo-N-(4-methylphenyl)-N-phenylaniline
CID 139772467
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
N-[4-[4-(4-bromo-N-(2-phenylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)-2-phenylaniline
CID 155198907
2-bromo-N-(2-bromo-4-methylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 122673088
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 59431689
1-N-methyl-4-N-[4-(N-(4-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 58038448

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-methylphenyl)-N-phenylaniline?
The IUPAC name of 2-bromo-N-(4-methylphenyl)-N-phenylaniline (CID 138413970) is 2-bromo-N-(4-methylphenyl)-N-phenylaniline.
What is the SMILES notation for 2-bromo-N-(4-methylphenyl)-N-phenylaniline?
The canonical SMILES for 2-bromo-N-(4-methylphenyl)-N-phenylaniline is Cc1ccc(N(c2ccccc2)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-(4-methylphenyl)-N-phenylaniline?
The InChIKey is YCCCNUJWZAODAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN/c1-15-11-13-17(14-12-15)21(16-7-3-2-4-8-16)19-10-6-5-9-18(19)20/h2-14H,1H3.
What are the key properties of 2-bromo-N-(4-methylphenyl)-N-phenylaniline?
2-bromo-N-(4-methylphenyl)-N-phenylaniline has a molecular weight of 338.25 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-methylphenyl)-N-phenylaniline is sourced from PubChem (CID 138413970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).