N,N-bis(4-bromophenyl)-2,4,6-trimethylaniline

C21H19Br2N — CID 22930861

IUPACN,N-bis(4-bromophenyl)-2,4,6-trimethylaniline
SMILESCc1cc(C)c(N(c2ccc(Br)cc2)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C21H19Br2N/c1-14-12-15(2)21(16(3)13-14)24(19-8-4-17(22)5-9-19)20-10-6-18(23)7-11-20/h4-13H,1-3H3
InChIKeyXZCBYXUKPMELOQ-UHFFFAOYSA-N
MW445.20 g/mol
LogP7.61
Rot. Bonds3

About N,N-bis(4-bromophenyl)-2,4,6-trimethylaniline

N,N-bis(4-bromophenyl)-2,4,6-trimethylaniline (PubChem CID 22930861) has the molecular formula C21H19Br2N and a molecular weight of 445.20 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN,N-bis(4-bromophenyl)-2,4,6-trimethylaniline
PubChem CID22930861
Molecular FormulaC21H19Br2N
Molecular Weight445.20 g/mol
Exact Mass442.99
IUPAC NameN,N-bis(4-bromophenyl)-2,4,6-trimethylaniline
SMILESCc1cc(C)c(N(c2ccc(Br)cc2)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C21H19Br2N/c1-14-12-15(2)21(16(3)13-14)24(19-8-4-17(22)5-9-19)20-10-6-18(23)7-11-20/h4-13H,1-3H3
InChIKeyXZCBYXUKPMELOQ-UHFFFAOYSA-N
XLogP7.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.20
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tris(4-bromophenyl)amine
CID 258027
n,n-Dibenzyl-4-bromoaniline
CID 285423
4,4'-Dibromotriphenylamine
CID 13594707
N-(4-bromophenyl)-2,4,6-trimethylaniline
CID 12099906
N-(3-bromophenyl)-2,4,6-trimethylaniline
CID 127044709
N4,N4'-bis(4-bromophenyl)-N4,N4'-diphenyl-[1,1'-biphenyl]-4,4'-diamine
CID 16217991
4-Bromo-4',4''-dimethyltriphenylamine
CID 11142701
4-[(E)-2-[3-bromo-5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 10895598
N,N'-Bis(4-bromophenyl)benzidine
CID 16218162
3-Bromo-4',4''-dimethyltriphenylamine
CID 51358452
N-(4-Bromophenyl)-4-biphenylamine
CID 57746339
N,N-bis[(2-bromophenyl)methyl]aniline
CID 90670862

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)-2,4,6-trimethylaniline?
The IUPAC name of N,N-bis(4-bromophenyl)-2,4,6-trimethylaniline (CID 22930861) is N,N-bis(4-bromophenyl)-2,4,6-trimethylaniline.
What is the SMILES notation for N,N-bis(4-bromophenyl)-2,4,6-trimethylaniline?
The canonical SMILES for N,N-bis(4-bromophenyl)-2,4,6-trimethylaniline is Cc1cc(C)c(N(c2ccc(Br)cc2)c2ccc(Br)cc2)c(C)c1.
What is the InChIKey of N,N-bis(4-bromophenyl)-2,4,6-trimethylaniline?
The InChIKey is XZCBYXUKPMELOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Br2N/c1-14-12-15(2)21(16(3)13-14)24(19-8-4-17(22)5-9-19)20-10-6-18(23)7-11-20/h4-13H,1-3H3.
What are the key properties of N,N-bis(4-bromophenyl)-2,4,6-trimethylaniline?
N,N-bis(4-bromophenyl)-2,4,6-trimethylaniline has a molecular weight of 445.20 g/mol, XLogP of 7.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-bromophenyl)-2,4,6-trimethylaniline is sourced from PubChem (CID 22930861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).