3-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol

C15H14F3NO — CID 59363846

IUPAC3-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol
SMILESOc1cccc(NCCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H14F3NO/c16-15(17,18)12-6-4-11(5-7-12)8-9-19-13-2-1-3-14(20)10-13/h1-7,10,19-20H,8-9H2
InChIKeyWOAWTXNACCXVSN-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.07
Rot. Bonds4

About 3-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol

3-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol (PubChem CID 59363846) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol.

Molecular Properties

Compound Name3-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol
PubChem CID59363846
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name3-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol
SMILESOc1cccc(NCCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H14F3NO/c16-15(17,18)12-6-4-11(5-7-12)8-9-19-13-2-1-3-14(20)10-13/h1-7,10,19-20H,8-9H2
InChIKeyWOAWTXNACCXVSN-UHFFFAOYSA-N
XLogP4.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol?
The IUPAC name of 3-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol (CID 59363846) is 3-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol.
What is the SMILES notation for 3-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol?
The canonical SMILES for 3-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol is Oc1cccc(NCCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol?
The InChIKey is WOAWTXNACCXVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c16-15(17,18)12-6-4-11(5-7-12)8-9-19-13-2-1-3-14(20)10-13/h1-7,10,19-20H,8-9H2.
What are the key properties of 3-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol?
3-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol has a molecular weight of 281.28 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol is sourced from PubChem (CID 59363846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).