2-(benzylamino)-1-[3-(trifluoromethyl)phenyl]ethanol

C16H16F3NO — CID 23647917

IUPAC2-(benzylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNCc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)14-8-4-7-13(9-14)15(21)11-20-10-12-5-2-1-3-6-12/h1-9,15,20-21H,10-11H2
InChIKeyZBHSAYWIYAVUOP-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.53
Rot. Bonds5

About 2-(benzylamino)-1-[3-(trifluoromethyl)phenyl]ethanol

2-(benzylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 23647917) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(benzylamino)-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(benzylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID23647917
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-(benzylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNCc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)14-8-4-7-13(9-14)15(21)11-20-10-12-5-2-1-3-6-12/h1-9,15,20-21H,10-11H2
InChIKeyZBHSAYWIYAVUOP-UHFFFAOYSA-N
XLogP3.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(benzylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (CID 23647917) is 2-(benzylamino)-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(benzylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(benzylamino)-1-[3-(trifluoromethyl)phenyl]ethanol is OC(CNCc1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(benzylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is ZBHSAYWIYAVUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-16(18,19)14-8-4-7-13(9-14)15(21)11-20-10-12-5-2-1-3-6-12/h1-9,15,20-21H,10-11H2.
What are the key properties of 2-(benzylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
2-(benzylamino)-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 295.30 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 23647917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).