3-bromo-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline

C15H13BrF3NO — CID 63505711

IUPAC3-bromo-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
SMILESFC(F)(F)c1ccccc1OCCNc1cccc(Br)c1
InChIInChI=1S/C15H13BrF3NO/c16-11-4-3-5-12(10-11)20-8-9-21-14-7-2-1-6-13(14)15(17,18)19/h1-7,10,20H,8-9H2
InChIKeyARGGSKINXUXKDM-UHFFFAOYSA-N
MW360.17 g/mol
LogP4.96
Rot. Bonds5

About 3-bromo-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline

3-bromo-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline (PubChem CID 63505711) has the molecular formula C15H13BrF3NO and a molecular weight of 360.17 g/mol. Its IUPAC name is 3-bromo-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline.

Molecular Properties

Compound Name3-bromo-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
PubChem CID63505711
Molecular FormulaC15H13BrF3NO
Molecular Weight360.17 g/mol
Exact Mass359.01
IUPAC Name3-bromo-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
SMILESFC(F)(F)c1ccccc1OCCNc1cccc(Br)c1
InChIInChI=1S/C15H13BrF3NO/c16-11-4-3-5-12(10-11)20-8-9-21-14-7-2-1-6-13(14)15(17,18)19/h1-7,10,20H,8-9H2
InChIKeyARGGSKINXUXKDM-UHFFFAOYSA-N
XLogP4.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline 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-bromo-N-[2-(2-ethoxyphenoxy)ethyl]aniline
CID 62573032
3-bromo-N-[2-(2-methoxyphenoxy)ethyl]aniline
CID 55093133
3-bromo-N-[2-(2-bromo-4-fluorophenoxy)ethyl]aniline
CID 63505886
4-chloro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
CID 63505392
2-fluoro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
CID 63505393
N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800772
N-[2-(2-methoxyphenoxy)ethyl]-3-(trifluoromethyl)aniline
CID 54803252
6-bromo-5-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrimidin-4-amine
CID 13075477
N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propan-1-amine
CID 13344556
N-[2-(4-bromo-2-methylphenoxy)ethyl]aniline
CID 63214405
3-bromo-N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]aniline
CID 63504584
N-[2-(5-bromo-2-fluorophenoxy)ethyl]-3-chloroaniline
CID 114676990

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline?
The IUPAC name of 3-bromo-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline (CID 63505711) is 3-bromo-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline.
What is the SMILES notation for 3-bromo-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline?
The canonical SMILES for 3-bromo-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline is FC(F)(F)c1ccccc1OCCNc1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline?
The InChIKey is ARGGSKINXUXKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3NO/c16-11-4-3-5-12(10-11)20-8-9-21-14-7-2-1-6-13(14)15(17,18)19/h1-7,10,20H,8-9H2.
What are the key properties of 3-bromo-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline?
3-bromo-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline has a molecular weight of 360.17 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline is sourced from PubChem (CID 63505711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).