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

C17H18F3NO2 — CID 23647923

IUPAC2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCOc1ccccc1CNCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3NO2/c1-23-16-8-3-2-5-13(16)10-21-11-15(22)12-6-4-7-14(9-12)17(18,19)20/h2-9,15,21-22H,10-11H2,1H3
InChIKeyQZNCMPXSFJLTCI-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.54
Rot. Bonds6

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

2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 23647923) has the molecular formula C17H18F3NO2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID23647923
Molecular FormulaC17H18F3NO2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCOc1ccccc1CNCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3NO2/c1-23-16-8-3-2-5-13(16)10-21-11-15(22)12-6-4-7-14(9-12)17(18,19)20/h2-9,15,21-22H,10-11H2,1H3
InChIKeyQZNCMPXSFJLTCI-UHFFFAOYSA-N
XLogP3.54
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol (CID 23647923) is 2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol is COc1ccccc1CNCC(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is QZNCMPXSFJLTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO2/c1-23-16-8-3-2-5-13(16)10-21-11-15(22)12-6-4-7-14(9-12)17(18,19)20/h2-9,15,21-22H,10-11H2,1H3.
What are the key properties of 2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 325.33 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 23647923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).