(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine

C14H10Br2F3N — CID 107974770

IUPAC(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1cc(Br)cc(Br)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10Br2F3N/c15-11-5-9(6-12(16)7-11)13(20)8-2-1-3-10(4-8)14(17,18)19/h1-7,13H,20H2
InChIKeyRYHTZYIQDRAEKF-UHFFFAOYSA-N
MW409.04 g/mol
LogP5.28
Rot. Bonds2

About (3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine

(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 107974770) has the molecular formula C14H10Br2F3N and a molecular weight of 409.04 g/mol. Its IUPAC name is (3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID107974770
Molecular FormulaC14H10Br2F3N
Molecular Weight409.04 g/mol
Exact Mass406.91
IUPAC Name(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1cc(Br)cc(Br)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10Br2F3N/c15-11-5-9(6-12(16)7-11)13(20)8-2-1-3-10(4-8)14(17,18)19/h1-7,13H,20H2
InChIKeyRYHTZYIQDRAEKF-UHFFFAOYSA-N
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.04
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3,5-dibromophenyl)-[3-(trifluoromethyl)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

(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 107978303
(2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107503114
(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115566981
(2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43825139
(4-fluoro-3,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65299620
(2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 114886642
(3-bromo-2-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 106645279
(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 28502674
(2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115850757
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine
CID 66423670

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine (CID 107974770) is (3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine is NC(c1cc(Br)cc(Br)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is RYHTZYIQDRAEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2F3N/c15-11-5-9(6-12(16)7-11)13(20)8-2-1-3-10(4-8)14(17,18)19/h1-7,13H,20H2.
What are the key properties of (3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine?
(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 409.04 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 107974770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).