2-[(2-morpholin-4-ylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol

C20H23F3N2O2 — CID 23647920

IUPAC2-[(2-morpholin-4-ylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNCc1ccccc1N1CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O2/c21-20(22,23)17-6-3-5-15(12-17)19(26)14-24-13-16-4-1-2-7-18(16)25-8-10-27-11-9-25/h1-7,12,19,24,26H,8-11,13-14H2
InChIKeyVVQGFNGFYNVPNQ-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.37
Rot. Bonds6

About 2-[(2-morpholin-4-ylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol

2-[(2-morpholin-4-ylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 23647920) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-[(2-morpholin-4-ylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[(2-morpholin-4-ylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID23647920
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name2-[(2-morpholin-4-ylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNCc1ccccc1N1CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O2/c21-20(22,23)17-6-3-5-15(12-17)19(26)14-24-13-16-4-1-2-7-18(16)25-8-10-27-11-9-25/h1-7,12,19,24,26H,8-11,13-14H2
InChIKeyVVQGFNGFYNVPNQ-UHFFFAOYSA-N
XLogP3.37
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-morpholin-4-ylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[(2-morpholin-4-ylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol (CID 23647920) is 2-[(2-morpholin-4-ylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[(2-morpholin-4-ylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[(2-morpholin-4-ylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol is OC(CNCc1ccccc1N1CCOCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(2-morpholin-4-ylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is VVQGFNGFYNVPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c21-20(22,23)17-6-3-5-15(12-17)19(26)14-24-13-16-4-1-2-7-18(16)25-8-10-27-11-9-25/h1-7,12,19,24,26H,8-11,13-14H2.
What are the key properties of 2-[(2-morpholin-4-ylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
2-[(2-morpholin-4-ylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 380.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-morpholin-4-ylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 23647920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).