(4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine

C14H9BrClF4N — CID 107291877

IUPAC(4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(F)c(C(F)(F)F)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H9BrClF4N/c15-8-2-3-9(11(16)6-8)13(21)7-1-4-12(17)10(5-7)14(18,19)20/h1-6,13H,21H2
InChIKeyIKQRCCNHNURCCT-UHFFFAOYSA-N
MW382.58 g/mol
LogP5.31
Rot. Bonds2

About (4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine

(4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 107291877) has the molecular formula C14H9BrClF4N and a molecular weight of 382.58 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
PubChem CID107291877
Molecular FormulaC14H9BrClF4N
Molecular Weight382.58 g/mol
Exact Mass380.95
IUPAC Name(4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(F)c(C(F)(F)F)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H9BrClF4N/c15-8-2-3-9(11(16)6-8)13(21)7-1-4-12(17)10(5-7)14(18,19)20/h1-6,13H,21H2
InChIKeyIKQRCCNHNURCCT-UHFFFAOYSA-N
XLogP5.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.58
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43805150
(2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 115801247
[4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine
CID 107332709
(4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine
CID 43805136
[4-bromo-2-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanamine
CID 107560241
(5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 80530745
(3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289052
(4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine
CID 43805138
(3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289145
(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine
CID 115827987
(2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 61273169
(5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291801

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine (CID 107291877) is (4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine is NC(c1ccc(F)c(C(F)(F)F)c1)c1ccc(Br)cc1Cl.
What is the InChIKey of (4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is IKQRCCNHNURCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF4N/c15-8-2-3-9(11(16)6-8)13(21)7-1-4-12(17)10(5-7)14(18,19)20/h1-6,13H,21H2.
What are the key properties of (4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
(4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 382.58 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 107291877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).