(2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine

C14H11BrF3NO — CID 62916544

IUPAC(2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1cccc(OC(F)(F)F)c1)c1ccccc1Br
InChIInChI=1S/C14H11BrF3NO/c15-12-7-2-1-6-11(12)13(19)9-4-3-5-10(8-9)20-14(16,17)18/h1-8,13H,19H2
InChIKeyOJWIJCPBGDHPDD-UHFFFAOYSA-N
MW346.15 g/mol
LogP4.40
Rot. Bonds3

About (2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine

(2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine (PubChem CID 62916544) has the molecular formula C14H11BrF3NO and a molecular weight of 346.15 g/mol. Its IUPAC name is (2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
PubChem CID62916544
Molecular FormulaC14H11BrF3NO
Molecular Weight346.15 g/mol
Exact Mass345.00
IUPAC Name(2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1cccc(OC(F)(F)F)c1)c1ccccc1Br
InChIInChI=1S/C14H11BrF3NO/c15-12-7-2-1-6-11(12)13(19)9-4-3-5-10(8-9)20-14(16,17)18/h1-8,13H,19H2
InChIKeyOJWIJCPBGDHPDD-UHFFFAOYSA-N
XLogP4.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dibromothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 107968244
(2-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 115854113
(4,5-dibromothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 115854014
(3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 82790039
(2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43825139
(2-methylfuran-3-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 104789761
(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 63672562
thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
CID 55132689
(3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 107104966
(1S)-2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 171249830
(S)-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171242513
(S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171241669

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine (CID 62916544) is (2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine is NC(c1cccc(OC(F)(F)F)c1)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is OJWIJCPBGDHPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO/c15-12-7-2-1-6-11(12)13(19)9-4-3-5-10(8-9)20-14(16,17)18/h1-8,13H,19H2.
What are the key properties of (2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine?
(2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 346.15 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 62916544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).