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

C17H18F3NO3 — CID 23647928

IUPAC2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethoxy)phenyl]ethanol
SMILESCOc1ccccc1CNCC(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H18F3NO3/c1-23-16-8-3-2-5-13(16)10-21-11-15(22)12-6-4-7-14(9-12)24-17(18,19)20/h2-9,15,21-22H,10-11H2,1H3
InChIKeyFIINVRHWVBUYAJ-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.42
Rot. Bonds7

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

2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethoxy)phenyl]ethanol (PubChem CID 23647928) has the molecular formula C17H18F3NO3 and a molecular weight of 341.33 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethoxy)phenyl]ethanol
PubChem CID23647928
Molecular FormulaC17H18F3NO3
Molecular Weight341.33 g/mol
Exact Mass341.12
IUPAC Name2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethoxy)phenyl]ethanol
SMILESCOc1ccccc1CNCC(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H18F3NO3/c1-23-16-8-3-2-5-13(16)10-21-11-15(22)12-6-4-7-14(9-12)24-17(18,19)20/h2-9,15,21-22H,10-11H2,1H3
InChIKeyFIINVRHWVBUYAJ-UHFFFAOYSA-N
XLogP3.42
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethoxy)phenyl]ethanol (CID 23647928) is 2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethoxy)phenyl]ethanol is COc1ccccc1CNCC(O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is FIINVRHWVBUYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO3/c1-23-16-8-3-2-5-13(16)10-21-11-15(22)12-6-4-7-14(9-12)24-17(18,19)20/h2-9,15,21-22H,10-11H2,1H3.
What are the key properties of 2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethoxy)phenyl]ethanol?
2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 341.33 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 23647928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).