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

C15H14F3N — CID 82039542

IUPAC2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethanamine
SMILESNCCc1ccc(-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H14F3N/c16-15(17,18)14-4-2-1-3-13(14)12-7-5-11(6-8-12)9-10-19/h1-8H,9-10,19H2
InChIKeyYEYURNLXSZVTCR-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.87
Rot. Bonds3

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

2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethanamine (PubChem CID 82039542) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethanamine
PubChem CID82039542
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethanamine
SMILESNCCc1ccc(-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H14F3N/c16-15(17,18)14-4-2-1-3-13(14)12-7-5-11(6-8-12)9-10-19/h1-8H,9-10,19H2
InChIKeyYEYURNLXSZVTCR-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethanamine?
The IUPAC name of 2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethanamine (CID 82039542) is 2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethanamine is NCCc1ccc(-c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethanamine?
The InChIKey is YEYURNLXSZVTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c16-15(17,18)14-4-2-1-3-13(14)12-7-5-11(6-8-12)9-10-19/h1-8H,9-10,19H2.
What are the key properties of 2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethanamine?
2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethanamine has a molecular weight of 265.28 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethanamine is sourced from PubChem (CID 82039542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).