1-(3-chlorophenyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine

C15H13ClF3NO — CID 117242628

IUPAC1-(3-chlorophenyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
SMILESNC(COc1ccccc1C(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClF3NO/c16-11-5-3-4-10(8-11)13(20)9-21-14-7-2-1-6-12(14)15(17,18)19/h1-8,13H,9,20H2
InChIKeyDKNXPTFGTVWLHW-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.44
Rot. Bonds4

About 1-(3-chlorophenyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine

1-(3-chlorophenyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine (PubChem CID 117242628) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
PubChem CID117242628
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name1-(3-chlorophenyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
SMILESNC(COc1ccccc1C(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClF3NO/c16-11-5-3-4-10(8-11)13(20)9-21-14-7-2-1-6-12(14)15(17,18)19/h1-8,13H,9,20H2
InChIKeyDKNXPTFGTVWLHW-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

1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 117242744
(1S)-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171219105
2-(2-fluorophenoxy)-1-(3-fluorophenyl)ethanamine
CID 18070424
2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 105145392
4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 117241681
4,4-dimethyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 117241683
3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol
CID 117242718
(2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 30121905
2-[3-amino-2-(3-chlorophenyl)propoxy]phenol
CID 117242992
CID 58450364
CID 58450364
2-(2-fluorophenoxy)-1-phenylethanamine
CID 16782769
(1S)-2-[2-(4-chlorophenoxy)-3-fluorophenoxy]-1-phenylethanamine
CID 134158095

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine (CID 117242628) is 1-(3-chlorophenyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine is NC(COc1ccccc1C(F)(F)F)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine?
The InChIKey is DKNXPTFGTVWLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-11-5-3-4-10(8-11)13(20)9-21-14-7-2-1-6-12(14)15(17,18)19/h1-8,13H,9,20H2.
What are the key properties of 1-(3-chlorophenyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine?
1-(3-chlorophenyl)-2-[2-(trifluoromethyl)phenoxy]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 1-(3-chlorophenyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine is sourced from PubChem (CID 117242628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).