2-bromo-N-(2-bromo-4-methylphenyl)-4-methyl-N-(4-methylphenyl)aniline

C21H19Br2N — CID 122673088

IUPAC2-bromo-N-(2-bromo-4-methylphenyl)-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2Br)c2ccc(C)cc2Br)cc1
InChIInChI=1S/C21H19Br2N/c1-14-4-8-17(9-5-14)24(20-10-6-15(2)12-18(20)22)21-11-7-16(3)13-19(21)23/h4-13H,1-3H3
InChIKeyQRLKFLMGQFSNAP-UHFFFAOYSA-N
MW445.20 g/mol
LogP7.61
Rot. Bonds3

About 2-bromo-N-(2-bromo-4-methylphenyl)-4-methyl-N-(4-methylphenyl)aniline

2-bromo-N-(2-bromo-4-methylphenyl)-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 122673088) has the molecular formula C21H19Br2N and a molecular weight of 445.20 g/mol. Its IUPAC name is 2-bromo-N-(2-bromo-4-methylphenyl)-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name2-bromo-N-(2-bromo-4-methylphenyl)-4-methyl-N-(4-methylphenyl)aniline
PubChem CID122673088
Molecular FormulaC21H19Br2N
Molecular Weight445.20 g/mol
Exact Mass442.99
IUPAC Name2-bromo-N-(2-bromo-4-methylphenyl)-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2Br)c2ccc(C)cc2Br)cc1
InChIInChI=1S/C21H19Br2N/c1-14-4-8-17(9-5-14)24(20-10-6-15(2)12-18(20)22)21-11-7-16(3)13-19(21)23/h4-13H,1-3H3
InChIKeyQRLKFLMGQFSNAP-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

2,4-dibromo-N-(4-bromophenyl)-N-(2,4-dibromophenyl)aniline
CID 14223742
2-bromo-N-(4-methylphenyl)-N-phenylaniline
CID 138413970
3,5-dibromo-N,N-bis(4-methylphenyl)aniline
CID 58544695
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
4-methyl-N-(4-methyl-2-nitrophenyl)-N-(4-methylphenyl)-2-nitroaniline
CID 101413649
2-fluoro-N-(2-fluorophenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 137434924
N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline
CID 86720787
2-chloro-1-N,1-N,3-N,3-N,5-N,5-N-hexakis(4-methylphenyl)benzene-1,3,5-triamine
CID 150854821
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
2-bromo-N-(2-chloroethyl)-N,4-dimethylaniline
CID 82122019
N,3-dibromo-4-methyl-N-(4-methylphenyl)aniline
CID 118113905
N-[4-[4-[N-(2,4-dimethylphenyl)-4-[4-(N-(2,4-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-N,2,4-trimethylaniline
CID 23594446

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromo-4-methylphenyl)-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of 2-bromo-N-(2-bromo-4-methylphenyl)-4-methyl-N-(4-methylphenyl)aniline (CID 122673088) is 2-bromo-N-(2-bromo-4-methylphenyl)-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for 2-bromo-N-(2-bromo-4-methylphenyl)-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for 2-bromo-N-(2-bromo-4-methylphenyl)-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2Br)c2ccc(C)cc2Br)cc1.
What is the InChIKey of 2-bromo-N-(2-bromo-4-methylphenyl)-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is QRLKFLMGQFSNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Br2N/c1-14-4-8-17(9-5-14)24(20-10-6-15(2)12-18(20)22)21-11-7-16(3)13-19(21)23/h4-13H,1-3H3.
What are the key properties of 2-bromo-N-(2-bromo-4-methylphenyl)-4-methyl-N-(4-methylphenyl)aniline?
2-bromo-N-(2-bromo-4-methylphenyl)-4-methyl-N-(4-methylphenyl)aniline 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 2-bromo-N-(2-bromo-4-methylphenyl)-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 122673088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).