1-[2-[2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethoxy]phenyl]ethanone

C19H20F3NO2 — CID 112812852

IUPAC1-[2-[2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCN(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C19H20F3NO2/c1-14(24)16-8-4-6-10-18(16)25-12-11-23(2)13-15-7-3-5-9-17(15)19(20,21)22/h3-10H,11-13H2,1-2H3
InChIKeyKZGYLBJVCNBSSM-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.42
Rot. Bonds7

About 1-[2-[2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethoxy]phenyl]ethanone

1-[2-[2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethoxy]phenyl]ethanone (PubChem CID 112812852) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 1-[2-[2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethoxy]phenyl]ethanone
PubChem CID112812852
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name1-[2-[2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCN(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C19H20F3NO2/c1-14(24)16-8-4-6-10-18(16)25-12-11-23(2)13-15-7-3-5-9-17(15)19(20,21)22/h3-10H,11-13H2,1-2H3
InChIKeyKZGYLBJVCNBSSM-UHFFFAOYSA-N
XLogP4.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
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1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone
CID 43233074
1-[2-(2-iodoethoxy)phenyl]ethanone
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3-(2-acetylphenoxy)-N,N-dimethylpropanamide
CID 54879002
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CID 13256788

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethoxy]phenyl]ethanone (CID 112812852) is 1-[2-[2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethoxy]phenyl]ethanone is CC(=O)c1ccccc1OCCN(C)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[2-[2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethoxy]phenyl]ethanone?
The InChIKey is KZGYLBJVCNBSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-14(24)16-8-4-6-10-18(16)25-12-11-23(2)13-15-7-3-5-9-17(15)19(20,21)22/h3-10H,11-13H2,1-2H3.
What are the key properties of 1-[2-[2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethoxy]phenyl]ethanone?
1-[2-[2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethoxy]phenyl]ethanone has a molecular weight of 351.37 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethoxy]phenyl]ethanone is sourced from PubChem (CID 112812852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).