3,5-dibromo-N,N-bis(4-methylphenyl)aniline

C20H17Br2N — CID 58544695

IUPAC3,5-dibromo-N,N-bis(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2cc(Br)cc(Br)c2)cc1
InChIInChI=1S/C20H17Br2N/c1-14-3-7-18(8-4-14)23(19-9-5-15(2)6-10-19)20-12-16(21)11-17(22)13-20/h3-13H,1-2H3
InChIKeyAQCATVFOAVNDGG-UHFFFAOYSA-N
MW431.17 g/mol
LogP7.30
Rot. Bonds3

About 3,5-dibromo-N,N-bis(4-methylphenyl)aniline

3,5-dibromo-N,N-bis(4-methylphenyl)aniline (PubChem CID 58544695) has the molecular formula C20H17Br2N and a molecular weight of 431.17 g/mol. Its IUPAC name is 3,5-dibromo-N,N-bis(4-methylphenyl)aniline.

Molecular Properties

Compound Name3,5-dibromo-N,N-bis(4-methylphenyl)aniline
PubChem CID58544695
Molecular FormulaC20H17Br2N
Molecular Weight431.17 g/mol
Exact Mass428.97
IUPAC Name3,5-dibromo-N,N-bis(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2cc(Br)cc(Br)c2)cc1
InChIInChI=1S/C20H17Br2N/c1-14-3-7-18(8-4-14)23(19-9-5-15(2)6-10-19)20-12-16(21)11-17(22)13-20/h3-13H,1-2H3
InChIKeyAQCATVFOAVNDGG-UHFFFAOYSA-N
XLogP7.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.17
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline
CID 143762169
1-N,1-N,3-N,3-N,5-N,5-N-hexakis(4-bromophenyl)benzene-1,3,5-triamine
CID 134943535
3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 121443838
1-N,3-N,5-N-tris(4-tert-butylphenyl)-1-N,3-N,5-N-tris(4-methylphenyl)benzene-1,3,5-triamine
CID 22900171
5-(3-bromophenoxy)-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine
CID 166867122
6-N,6-N,16-N,16-N-tetrakis(4-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166032335
2-bromo-N-(2-bromo-4-methylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 122673088
2-chloro-1-N,1-N,3-N,3-N,5-N,5-N-hexakis(4-methylphenyl)benzene-1,3,5-triamine
CID 150854821
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;bis(4-methylaniline)
CID 142830870

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N,N-bis(4-methylphenyl)aniline?
The IUPAC name of 3,5-dibromo-N,N-bis(4-methylphenyl)aniline (CID 58544695) is 3,5-dibromo-N,N-bis(4-methylphenyl)aniline.
What is the SMILES notation for 3,5-dibromo-N,N-bis(4-methylphenyl)aniline?
The canonical SMILES for 3,5-dibromo-N,N-bis(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2cc(Br)cc(Br)c2)cc1.
What is the InChIKey of 3,5-dibromo-N,N-bis(4-methylphenyl)aniline?
The InChIKey is AQCATVFOAVNDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Br2N/c1-14-3-7-18(8-4-14)23(19-9-5-15(2)6-10-19)20-12-16(21)11-17(22)13-20/h3-13H,1-2H3.
What are the key properties of 3,5-dibromo-N,N-bis(4-methylphenyl)aniline?
3,5-dibromo-N,N-bis(4-methylphenyl)aniline has a molecular weight of 431.17 g/mol, XLogP of 7.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N,N-bis(4-methylphenyl)aniline is sourced from PubChem (CID 58544695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).