3-bromo-N,N-bis(4-methylphenyl)aniline

C20H18BrN — CID 51358452

IUPAC3-bromo-N,N-bis(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2cccc(Br)c2)cc1
InChIInChI=1S/C20H18BrN/c1-15-6-10-18(11-7-15)22(19-12-8-16(2)9-13-19)20-5-3-4-17(21)14-20/h3-14H,1-2H3
InChIKeyLBLFZUNRAGUAFR-UHFFFAOYSA-N
MW352.28 g/mol
LogP6.54
Rot. Bonds3

About 3-bromo-N,N-bis(4-methylphenyl)aniline

3-bromo-N,N-bis(4-methylphenyl)aniline (PubChem CID 51358452) has the molecular formula C20H18BrN and a molecular weight of 352.28 g/mol. Its IUPAC name is 3-bromo-N,N-bis(4-methylphenyl)aniline.

Molecular Properties

Compound Name3-bromo-N,N-bis(4-methylphenyl)aniline
PubChem CID51358452
Molecular FormulaC20H18BrN
Molecular Weight352.28 g/mol
Exact Mass351.06
IUPAC Name3-bromo-N,N-bis(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2cccc(Br)c2)cc1
InChIInChI=1S/C20H18BrN/c1-15-6-10-18(11-7-15)22(19-12-8-16(2)9-13-19)20-5-3-4-17(21)14-20/h3-14H,1-2H3
InChIKeyLBLFZUNRAGUAFR-UHFFFAOYSA-N
XLogP6.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.28
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

n,n-Dibenzyl-4-bromoaniline
CID 285423
4-Bromotriphenylamine
CID 642838
3-Bromo-N,N-diphenylaniline
CID 16217851
2-Bromotriphenylamine
CID 21678929
4-Methyl-N-(4-methylphenyl)-N-phenylbenzenamine
CID 88539
N,N-Dibenzyl-4-methylaniline
CID 221519
4-Methyltriphenylamine
CID 11299928
N-(3-bromophenyl)-2,4,6-trimethylaniline
CID 127044709
Tri-p-tolylamine
CID 70873
(E)-4-(2-(4-Bromophenyl)ethenyl)benzenamine, N,N-dimethyl-
CID 5463086
N4,N4'-bis(4-bromophenyl)-N4,N4'-diphenyl-[1,1'-biphenyl]-4,4'-diamine
CID 16217991
N,N-Bis(4-bromophenyl)-2,4,6-trimethylaniline
CID 22930861

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,N-bis(4-methylphenyl)aniline?
The IUPAC name of 3-bromo-N,N-bis(4-methylphenyl)aniline (CID 51358452) is 3-bromo-N,N-bis(4-methylphenyl)aniline.
What is the SMILES notation for 3-bromo-N,N-bis(4-methylphenyl)aniline?
The canonical SMILES for 3-bromo-N,N-bis(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2cccc(Br)c2)cc1.
What is the InChIKey of 3-bromo-N,N-bis(4-methylphenyl)aniline?
The InChIKey is LBLFZUNRAGUAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN/c1-15-6-10-18(11-7-15)22(19-12-8-16(2)9-13-19)20-5-3-4-17(21)14-20/h3-14H,1-2H3.
What are the key properties of 3-bromo-N,N-bis(4-methylphenyl)aniline?
3-bromo-N,N-bis(4-methylphenyl)aniline has a molecular weight of 352.28 g/mol, XLogP of 6.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,N-bis(4-methylphenyl)aniline is sourced from PubChem (CID 51358452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).