1-[4-ethoxy-3-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone

C20H22F3NO3 — CID 112812859

IUPAC1-[4-ethoxy-3-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone
SMILESCCOc1ccc(C(C)=O)cc1CN(C)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C20H22F3NO3/c1-4-26-18-10-9-15(14(2)25)11-17(18)13-24(3)12-16-7-5-6-8-19(16)27-20(21,22)23/h5-11H,4,12-13H2,1-3H3
InChIKeyCIRNHRLVDSJMNI-UHFFFAOYSA-N
MW381.39 g/mol
LogP4.82
Rot. Bonds8

About 1-[4-ethoxy-3-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone

1-[4-ethoxy-3-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone (PubChem CID 112812859) has the molecular formula C20H22F3NO3 and a molecular weight of 381.39 g/mol. Its IUPAC name is 1-[4-ethoxy-3-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-ethoxy-3-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone
PubChem CID112812859
Molecular FormulaC20H22F3NO3
Molecular Weight381.39 g/mol
Exact Mass381.16
IUPAC Name1-[4-ethoxy-3-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone
SMILESCCOc1ccc(C(C)=O)cc1CN(C)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C20H22F3NO3/c1-4-26-18-10-9-15(14(2)25)11-17(18)13-24(3)12-16-7-5-6-8-19(16)27-20(21,22)23/h5-11H,4,12-13H2,1-3H3
InChIKeyCIRNHRLVDSJMNI-UHFFFAOYSA-N
XLogP4.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]acetic acid
CID 43442595
1-[4-ethoxy-3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanone
CID 60683609
1-[3-[[2-aminoethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone
CID 62687564
3,4-diethoxy-N-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]benzamide
CID 38073078
methyl 3-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]propanoate
CID 62012473
1-[3-[[cyclopropylmethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone
CID 54880473
2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9252847
1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone
CID 60893124
N-[(5-acetyl-2-ethoxyphenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 112787896
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119278535
3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52560868

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethoxy-3-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone?
The IUPAC name of 1-[4-ethoxy-3-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone (CID 112812859) is 1-[4-ethoxy-3-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-ethoxy-3-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-ethoxy-3-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone is CCOc1ccc(C(C)=O)cc1CN(C)Cc1ccccc1OC(F)(F)F.
What is the InChIKey of 1-[4-ethoxy-3-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone?
The InChIKey is CIRNHRLVDSJMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO3/c1-4-26-18-10-9-15(14(2)25)11-17(18)13-24(3)12-16-7-5-6-8-19(16)27-20(21,22)23/h5-11H,4,12-13H2,1-3H3.
What are the key properties of 1-[4-ethoxy-3-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone?
1-[4-ethoxy-3-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone has a molecular weight of 381.39 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-3-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone is sourced from PubChem (CID 112812859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).