4-N-(4-bromo-2,6-dimethylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine

C15H14BrF3N2 — CID 65468688

IUPAC4-N-(4-bromo-2,6-dimethylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCc1cc(Br)cc(C)c1Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C15H14BrF3N2/c1-8-5-10(16)6-9(2)14(8)21-11-3-4-13(20)12(7-11)15(17,18)19/h3-7,21H,20H2,1-2H3
InChIKeyKYFPHQHANDFJOR-UHFFFAOYSA-N
MW359.19 g/mol
LogP5.41
Rot. Bonds2

About 4-N-(4-bromo-2,6-dimethylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine

4-N-(4-bromo-2,6-dimethylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 65468688) has the molecular formula C15H14BrF3N2 and a molecular weight of 359.19 g/mol. Its IUPAC name is 4-N-(4-bromo-2,6-dimethylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2,6-dimethylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID65468688
Molecular FormulaC15H14BrF3N2
Molecular Weight359.19 g/mol
Exact Mass358.03
IUPAC Name4-N-(4-bromo-2,6-dimethylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCc1cc(Br)cc(C)c1Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C15H14BrF3N2/c1-8-5-10(16)6-9(2)14(8)21-11-3-4-13(20)12(7-11)15(17,18)19/h3-7,21H,20H2,1-2H3
InChIKeyKYFPHQHANDFJOR-UHFFFAOYSA-N
XLogP5.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.19
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-bromo-4-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 63406446
4-N-(2,6-difluoro-3-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 82799662
3,4-bis[4-amino-3-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione
CID 169099220
4-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 107590965
4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 107609120
2-amino-5-(4-bromo-2,6-dimethylanilino)benzonitrile
CID 115499574
4-N-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 29066986
4-N-(2-bromo-5-chlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 81263721
2-(trifluoromethyl)-4-N-(2,4,5-trifluorophenyl)benzene-1,4-diamine
CID 62816929
4-N-(3-chloro-4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 29067548
4-N-(3-fluoro-4-methoxyphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 43380714
4-methyl-2-(trifluoromethyl)aniline
CID 2737710

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2,6-dimethylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(4-bromo-2,6-dimethylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine (CID 65468688) is 4-N-(4-bromo-2,6-dimethylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-bromo-2,6-dimethylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(4-bromo-2,6-dimethylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine is Cc1cc(Br)cc(C)c1Nc1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-N-(4-bromo-2,6-dimethylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is KYFPHQHANDFJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF3N2/c1-8-5-10(16)6-9(2)14(8)21-11-3-4-13(20)12(7-11)15(17,18)19/h3-7,21H,20H2,1-2H3.
What are the key properties of 4-N-(4-bromo-2,6-dimethylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
4-N-(4-bromo-2,6-dimethylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 359.19 g/mol, XLogP of 5.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2,6-dimethylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 65468688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).