[4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine

C14H9BrCl2F3N — CID 107332709

IUPAC[4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1Cl)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H9BrCl2F3N/c15-7-1-3-9(11(5-7)14(18,19)20)13(21)10-4-2-8(16)6-12(10)17/h1-6,13H,21H2
InChIKeyJMZSSEODFNBAOZ-UHFFFAOYSA-N
MW399.04 g/mol
LogP5.82
Rot. Bonds2

About [4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine

[4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine (PubChem CID 107332709) has the molecular formula C14H9BrCl2F3N and a molecular weight of 399.04 g/mol. Its IUPAC name is [4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine.

Molecular Properties

Compound Name[4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine
PubChem CID107332709
Molecular FormulaC14H9BrCl2F3N
Molecular Weight399.04 g/mol
Exact Mass396.92
IUPAC Name[4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1Cl)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H9BrCl2F3N/c15-7-1-3-9(11(5-7)14(18,19)20)13(21)10-4-2-8(16)6-12(10)17/h1-6,13H,21H2
InChIKeyJMZSSEODFNBAOZ-UHFFFAOYSA-N
XLogP5.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.04
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291877
(5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 65307651
[4-bromo-2-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanamine
CID 107560241
[4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylphenyl)methanamine
CID 63416477
[4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
CID 62688965
(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine
CID 115827987
(2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 61273169
(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43378974
(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43805150
[[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methyl]hydrazine
CID 105212866
(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroethanamine
CID 131543112
(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 171242192

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine?
The IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine (CID 107332709) is [4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine.
What is the SMILES notation for [4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine?
The canonical SMILES for [4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine is NC(c1ccc(Cl)cc1Cl)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of [4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine?
The InChIKey is JMZSSEODFNBAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2F3N/c15-7-1-3-9(11(5-7)14(18,19)20)13(21)10-4-2-8(16)6-12(10)17/h1-6,13H,21H2.
What are the key properties of [4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine?
[4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine has a molecular weight of 399.04 g/mol, XLogP of 5.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine is sourced from PubChem (CID 107332709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).