2-[(2-prop-2-enoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol

C19H20F3NO2 — CID 23647924

IUPAC2-[(2-prop-2-enoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESC=CCOc1ccccc1CNCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20F3NO2/c1-2-10-25-18-9-4-3-6-15(18)12-23-13-17(24)14-7-5-8-16(11-14)19(20,21)22/h2-9,11,17,23-24H,1,10,12-13H2
InChIKeyGNHZVRWFWFYEBO-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.09
Rot. Bonds8

About 2-[(2-prop-2-enoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol

2-[(2-prop-2-enoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 23647924) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-[(2-prop-2-enoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[(2-prop-2-enoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID23647924
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name2-[(2-prop-2-enoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESC=CCOc1ccccc1CNCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20F3NO2/c1-2-10-25-18-9-4-3-6-15(18)12-23-13-17(24)14-7-5-8-16(11-14)19(20,21)22/h2-9,11,17,23-24H,1,10,12-13H2
InChIKeyGNHZVRWFWFYEBO-UHFFFAOYSA-N
XLogP4.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-prop-2-enoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[(2-prop-2-enoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol (CID 23647924) is 2-[(2-prop-2-enoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[(2-prop-2-enoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[(2-prop-2-enoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol is C=CCOc1ccccc1CNCC(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(2-prop-2-enoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is GNHZVRWFWFYEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-2-10-25-18-9-4-3-6-15(18)12-23-13-17(24)14-7-5-8-16(11-14)19(20,21)22/h2-9,11,17,23-24H,1,10,12-13H2.
What are the key properties of 2-[(2-prop-2-enoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
2-[(2-prop-2-enoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 351.37 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-prop-2-enoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 23647924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).