2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine

C15H13ClF3NO — CID 67775548

IUPAC2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine
SMILESNCCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13ClF3NO/c16-14-6-5-12(9-13(14)15(17,18)19)21-11-3-1-10(2-4-11)7-8-20/h1-6,9H,7-8,20H2
InChIKeyQCVTVLSAYHGOAC-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.65
Rot. Bonds4

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

2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine (PubChem CID 67775548) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine
PubChem CID67775548
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine
SMILESNCCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13ClF3NO/c16-14-6-5-12(9-13(14)15(17,18)19)21-11-3-1-10(2-4-11)7-8-20/h1-6,9H,7-8,20H2
InChIKeyQCVTVLSAYHGOAC-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine (CID 67775548) is 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine is NCCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine?
The InChIKey is QCVTVLSAYHGOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-14-6-5-12(9-13(14)15(17,18)19)21-11-3-1-10(2-4-11)7-8-20/h1-6,9H,7-8,20H2.
What are the key properties of 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine?
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine has a molecular weight of 315.72 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine is sourced from PubChem (CID 67775548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).