(2-bromo-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

C15H12BrF4N — CID 102758784

IUPAC(2-bromo-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(F)(F)F)ccc1C(N)c1cccc(F)c1Br
InChIInChI=1S/C15H12BrF4N/c1-8-7-9(15(18,19)20)5-6-10(8)14(21)11-3-2-4-12(17)13(11)16/h2-7,14H,21H2,1H3
InChIKeyKGUSNLDLEWBSSD-UHFFFAOYSA-N
MW362.16 g/mol
LogP4.96
Rot. Bonds2

About (2-bromo-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

(2-bromo-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 102758784) has the molecular formula C15H12BrF4N and a molecular weight of 362.16 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
PubChem CID102758784
Molecular FormulaC15H12BrF4N
Molecular Weight362.16 g/mol
Exact Mass361.01
IUPAC Name(2-bromo-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(F)(F)F)ccc1C(N)c1cccc(F)c1Br
InChIInChI=1S/C15H12BrF4N/c1-8-7-9(15(18,19)20)5-6-10(8)14(21)11-3-2-4-12(17)13(11)16/h2-7,14H,21H2,1H3
InChIKeyKGUSNLDLEWBSSD-UHFFFAOYSA-N
XLogP4.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.16
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115853945
(2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483655
(5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753884
(4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758787
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
furan-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753944
(2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine
CID 107538762
2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 103517278
(4-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115853844
[(2-bromo-3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301331
(4-fluoro-2-methylphenyl)-(2-fluorophenyl)methanamine
CID 63084229
(2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 115851739

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (2-bromo-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (CID 102758784) is (2-bromo-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (2-bromo-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is Cc1cc(C(F)(F)F)ccc1C(N)c1cccc(F)c1Br.
What is the InChIKey of (2-bromo-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is KGUSNLDLEWBSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF4N/c1-8-7-9(15(18,19)20)5-6-10(8)14(21)11-3-2-4-12(17)13(11)16/h2-7,14H,21H2,1H3.
What are the key properties of (2-bromo-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
(2-bromo-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 362.16 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 102758784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).