2-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine

C15H13ClF3NO — CID 163408289

IUPAC2-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine
SMILESNCCOc1ccc(-c2cccc(Cl)c2)c(C(F)(F)F)c1
InChIInChI=1S/C15H13ClF3NO/c16-11-3-1-2-10(8-11)13-5-4-12(21-7-6-20)9-14(13)15(17,18)19/h1-5,8-9H,6-7,20H2
InChIKeyUYHRALRDHJGQID-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.36
Rot. Bonds4

About 2-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine

2-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine (PubChem CID 163408289) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine
PubChem CID163408289
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name2-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine
SMILESNCCOc1ccc(-c2cccc(Cl)c2)c(C(F)(F)F)c1
InChIInChI=1S/C15H13ClF3NO/c16-11-3-1-2-10(8-11)13-5-4-12(21-7-6-20)9-14(13)15(17,18)19/h1-5,8-9H,6-7,20H2
InChIKeyUYHRALRDHJGQID-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine?
The IUPAC name of 2-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine (CID 163408289) is 2-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine.
What is the SMILES notation for 2-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine?
The canonical SMILES for 2-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine is NCCOc1ccc(-c2cccc(Cl)c2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine?
The InChIKey is UYHRALRDHJGQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-11-3-1-2-10(8-11)13-5-4-12(21-7-6-20)9-14(13)15(17,18)19/h1-5,8-9H,6-7,20H2.
What are the key properties of 2-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine?
2-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine has a molecular weight of 315.72 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine is sourced from PubChem (CID 163408289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).