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

C14H10BrF4N — CID 115853945

IUPAC(2-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccccc1C(F)(F)F)c1cccc(F)c1Br
InChIInChI=1S/C14H10BrF4N/c15-12-9(5-3-7-11(12)16)13(20)8-4-1-2-6-10(8)14(17,18)19/h1-7,13H,20H2
InChIKeyMCXHESDXVMHBRL-UHFFFAOYSA-N
MW348.14 g/mol
LogP4.66
Rot. Bonds2

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

(2-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 115853945) has the molecular formula C14H10BrF4N and a molecular weight of 348.14 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID115853945
Molecular FormulaC14H10BrF4N
Molecular Weight348.14 g/mol
Exact Mass346.99
IUPAC Name(2-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccccc1C(F)(F)F)c1cccc(F)c1Br
InChIInChI=1S/C14H10BrF4N/c15-12-9(5-3-7-11(12)16)13(20)8-4-1-2-6-10(8)14(17,18)19/h1-7,13H,20H2
InChIKeyMCXHESDXVMHBRL-UHFFFAOYSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758784
(3-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 64713791
(4-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115853844
(1R)-1-(2-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171312338
(2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 115851739
(2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038410
1-(2-bromo-3-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 104992921
(1S)-1-(2-bromo-3-fluorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 171247886
1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 13034547
(2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483655
(2-bromo-3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035368
(1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine
CID 130889083

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (2-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine (CID 115853945) is (2-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (2-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine is NC(c1ccccc1C(F)(F)F)c1cccc(F)c1Br.
What is the InChIKey of (2-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is MCXHESDXVMHBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4N/c15-12-9(5-3-7-11(12)16)13(20)8-4-1-2-6-10(8)14(17,18)19/h1-7,13H,20H2.
What are the key properties of (2-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine?
(2-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 348.14 g/mol, XLogP of 4.66, 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-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 115853945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).