2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine

C15H13ClF3NO — CID 105145392

IUPAC2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESNC(COc1ccc(Cl)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H13ClF3NO/c16-10-5-7-11(8-6-10)21-9-14(20)12-3-1-2-4-13(12)15(17,18)19/h1-8,14H,9,20H2
InChIKeyQYMZLLWYLFJPOH-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.44
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine

2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 105145392) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID105145392
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESNC(COc1ccc(Cl)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H13ClF3NO/c16-10-5-7-11(8-6-10)21-9-14(20)12-3-1-2-4-13(12)15(17,18)19/h1-8,14H,9,20H2
InChIKeyQYMZLLWYLFJPOH-UHFFFAOYSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-1-quinolin-8-ylethanamine
CID 105172449
1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 13034547
(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103693880
2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107515309
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenoxy)ethanamine
CID 106764386
2-(4-chlorophenoxy)-1-isoquinolin-8-ylethanamine
CID 103137226
2-(oxetan-3-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 107524036
2-(4-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 105142711
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
1-(3-chlorophenyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 117242628
3-(4-methylphenoxy)-2-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 117244051
2-amino-2-[2-(trifluoromethyl)phenyl]ethanol;methane
CID 160725618

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 105145392) is 2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine is NC(COc1ccc(Cl)cc1)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is QYMZLLWYLFJPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-10-5-7-11(8-6-10)21-9-14(20)12-3-1-2-4-13(12)15(17,18)19/h1-8,14H,9,20H2.
What are the key properties of 2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine?
2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 315.72 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 105145392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).