4-bromo-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline

C14H11BrF3NO — CID 103009232

IUPAC4-bromo-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline
SMILESNc1ccc(Br)c(OCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H11BrF3NO/c15-12-5-4-11(19)7-13(12)20-8-9-2-1-3-10(6-9)14(16,17)18/h1-7H,8,19H2
InChIKeyUJYRDTWBJVMZLR-UHFFFAOYSA-N
MW346.15 g/mol
LogP4.63
Rot. Bonds3

About 4-bromo-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline

4-bromo-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline (PubChem CID 103009232) has the molecular formula C14H11BrF3NO and a molecular weight of 346.15 g/mol. Its IUPAC name is 4-bromo-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline.

Molecular Properties

Compound Name4-bromo-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline
PubChem CID103009232
Molecular FormulaC14H11BrF3NO
Molecular Weight346.15 g/mol
Exact Mass345.00
IUPAC Name4-bromo-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline
SMILESNc1ccc(Br)c(OCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H11BrF3NO/c15-12-5-4-11(19)7-13(12)20-8-9-2-1-3-10(6-9)14(16,17)18/h1-7H,8,19H2
InChIKeyUJYRDTWBJVMZLR-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-[(3-fluorophenyl)methoxy]aniline
CID 103008828
4-bromo-3-(2,2,2-trifluoroethoxy)aniline
CID 99770357
4-bromo-3-[(4-tert-butylphenyl)methoxy]aniline
CID 103009139
2-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437803
2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437992
[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 43147467
1-ethyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627169
[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 61389023
[3-(trifluoromethyl)phenyl]methyl 3-aminobenzoate
CID 60665378
2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 102132722
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]propan-1-amine;hydrochloride
CID 139814631
2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 25235984

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline?
The IUPAC name of 4-bromo-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline (CID 103009232) is 4-bromo-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline.
What is the SMILES notation for 4-bromo-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline?
The canonical SMILES for 4-bromo-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline is Nc1ccc(Br)c(OCc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-bromo-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline?
The InChIKey is UJYRDTWBJVMZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO/c15-12-5-4-11(19)7-13(12)20-8-9-2-1-3-10(6-9)14(16,17)18/h1-7H,8,19H2.
What are the key properties of 4-bromo-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline?
4-bromo-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline has a molecular weight of 346.15 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline is sourced from PubChem (CID 103009232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).