4-chloro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline

C15H13ClF3NO — CID 63505392

IUPAC4-chloro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
SMILESFC(F)(F)c1ccccc1OCCNc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClF3NO/c16-11-5-7-12(8-6-11)20-9-10-21-14-4-2-1-3-13(14)15(17,18)19/h1-8,20H,9-10H2
InChIKeyQPZGPYKEORTUAH-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.85
Rot. Bonds5

About 4-chloro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline

4-chloro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline (PubChem CID 63505392) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 4-chloro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
PubChem CID63505392
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name4-chloro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
SMILESFC(F)(F)c1ccccc1OCCNc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClF3NO/c16-11-5-7-12(8-6-11)20-9-10-21-14-4-2-1-3-13(14)15(17,18)19/h1-8,20H,9-10H2
InChIKeyQPZGPYKEORTUAH-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(2-fluorophenoxy)ethyl]aniline
CID 55024304
N-[2-(2-bromophenoxy)ethyl]-4-chloroaniline
CID 63505941
2-fluoro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
CID 63505393
4-chloro-N-[2-(2-prop-1-enylphenoxy)ethyl]aniline
CID 76997623
3-bromo-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
CID 63505711
N-[2-(2-chlorophenoxy)ethyl]aniline
CID 19079516
N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propan-1-amine
CID 13344556
N-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline
CID 63505890
N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 62571624
N-[2-(2-tert-butylphenoxy)ethyl]-4-(2-phenoxyethoxy)aniline
CID 54799862
N-[2-(2-tert-butylphenoxy)ethyl]-3-chloro-4-methoxyaniline
CID 54798707
N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451818

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline?
The IUPAC name of 4-chloro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline (CID 63505392) is 4-chloro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline.
What is the SMILES notation for 4-chloro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline?
The canonical SMILES for 4-chloro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline is FC(F)(F)c1ccccc1OCCNc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline?
The InChIKey is QPZGPYKEORTUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-11-5-7-12(8-6-11)20-9-10-21-14-4-2-1-3-13(14)15(17,18)19/h1-8,20H,9-10H2.
What are the key properties of 4-chloro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline?
4-chloro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline has a molecular weight of 315.72 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline is sourced from PubChem (CID 63505392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).