[4-[5-bromo-2-(trifluoromethyl)phenoxy]phenyl]methanamine

C14H11BrF3NO — CID 107289528

IUPAC[4-[5-bromo-2-(trifluoromethyl)phenoxy]phenyl]methanamine
SMILESNCc1ccc(Oc2cc(Br)ccc2C(F)(F)F)cc1
InChIInChI=1S/C14H11BrF3NO/c15-10-3-6-12(14(16,17)18)13(7-10)20-11-4-1-9(8-19)2-5-11/h1-7H,8,19H2
InChIKeyMZQJEPFLNHNLNY-UHFFFAOYSA-N
MW346.15 g/mol
LogP4.72
Rot. Bonds3

About [4-[5-bromo-2-(trifluoromethyl)phenoxy]phenyl]methanamine

[4-[5-bromo-2-(trifluoromethyl)phenoxy]phenyl]methanamine (PubChem CID 107289528) has the molecular formula C14H11BrF3NO and a molecular weight of 346.15 g/mol. Its IUPAC name is [4-[5-bromo-2-(trifluoromethyl)phenoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-bromo-2-(trifluoromethyl)phenoxy]phenyl]methanamine
PubChem CID107289528
Molecular FormulaC14H11BrF3NO
Molecular Weight346.15 g/mol
Exact Mass345.00
IUPAC Name[4-[5-bromo-2-(trifluoromethyl)phenoxy]phenyl]methanamine
SMILESNCc1ccc(Oc2cc(Br)ccc2C(F)(F)F)cc1
InChIInChI=1S/C14H11BrF3NO/c15-10-3-6-12(14(16,17)18)13(7-10)20-11-4-1-9(8-19)2-5-11/h1-7H,8,19H2
InChIKeyMZQJEPFLNHNLNY-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[5-bromo-2-(trifluoromethyl)phenoxy]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

[3-[4-[4-[5-(aminomethyl)-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-4-(2-fluoropropan-2-yl)phenyl]methanamine
CID 143935138
[4-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 114900818
[3-[4-[4-[5-(aminomethyl)-2-[difluoro(iodo)methyl]phenoxy]phenyl]sulfonylphenoxy]-4-(trifluoromethyl)phenyl]methanamine
CID 163750864
4-[4-bromo-2-(trifluoromethyl)phenoxy]aniline
CID 65483620
4-[[5-bromo-2-(trifluoromethyl)phenoxy]methyl]aniline
CID 107286696
[4-bromo-2-(4-ethylphenoxy)phenyl]methanamine
CID 43364972
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 3809622
[3-(4-bromophenoxy)-4-methylphenyl]methanamine
CID 105406673
[4-[2-(5-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine
CID 114671943
[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 58104277
[5-bromo-2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 114889837
[3-bromo-5-(5-bromo-2-fluorophenoxy)phenyl]methanamine
CID 102814762

Frequently Asked Questions

What is the IUPAC name of [4-[5-bromo-2-(trifluoromethyl)phenoxy]phenyl]methanamine?
The IUPAC name of [4-[5-bromo-2-(trifluoromethyl)phenoxy]phenyl]methanamine (CID 107289528) is [4-[5-bromo-2-(trifluoromethyl)phenoxy]phenyl]methanamine.
What is the SMILES notation for [4-[5-bromo-2-(trifluoromethyl)phenoxy]phenyl]methanamine?
The canonical SMILES for [4-[5-bromo-2-(trifluoromethyl)phenoxy]phenyl]methanamine is NCc1ccc(Oc2cc(Br)ccc2C(F)(F)F)cc1.
What is the InChIKey of [4-[5-bromo-2-(trifluoromethyl)phenoxy]phenyl]methanamine?
The InChIKey is MZQJEPFLNHNLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO/c15-10-3-6-12(14(16,17)18)13(7-10)20-11-4-1-9(8-19)2-5-11/h1-7H,8,19H2.
What are the key properties of [4-[5-bromo-2-(trifluoromethyl)phenoxy]phenyl]methanamine?
[4-[5-bromo-2-(trifluoromethyl)phenoxy]phenyl]methanamine has a molecular weight of 346.15 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-bromo-2-(trifluoromethyl)phenoxy]phenyl]methanamine is sourced from PubChem (CID 107289528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).