2-methyl-2-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylamino]propanamide

C20H23F3N2O2 — CID 166625545

IUPAC2-methyl-2-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylamino]propanamide
SMILESCC(C)(NCCc1ccc(OCc2cccc(C(F)(F)F)c2)cc1)C(N)=O
InChIInChI=1S/C20H23F3N2O2/c1-19(2,18(24)26)25-11-10-14-6-8-17(9-7-14)27-13-15-4-3-5-16(12-15)20(21,22)23/h3-9,12,25H,10-11,13H2,1-2H3,(H2,24,26)
InChIKeyHEFHXOPQEMAVDB-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.68
Rot. Bonds8

About 2-methyl-2-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylamino]propanamide

2-methyl-2-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylamino]propanamide (PubChem CID 166625545) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-methyl-2-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylamino]propanamide.

Molecular Properties

Compound Name2-methyl-2-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylamino]propanamide
PubChem CID166625545
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name2-methyl-2-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylamino]propanamide
SMILESCC(C)(NCCc1ccc(OCc2cccc(C(F)(F)F)c2)cc1)C(N)=O
InChIInChI=1S/C20H23F3N2O2/c1-19(2,18(24)26)25-11-10-14-6-8-17(9-7-14)27-13-15-4-3-5-16(12-15)20(21,22)23/h3-9,12,25H,10-11,13H2,1-2H3,(H2,24,26)
InChIKeyHEFHXOPQEMAVDB-UHFFFAOYSA-N
XLogP3.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol
CID 15059584
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
2-methyl-3-(methylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide;hydrochloride
CID 119773685
(2S)-3-hydroxy-N-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide
CID 10738662
3-[[3-(trifluoromethyl)phenyl]methoxy]benzenecarbothioamide
CID 29016770
(2E)-2-methoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one
CID 59967532
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]propan-1-amine;hydrochloride
CID 139814631
(3S)-N-methyl-1-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-3-carboxamide
CID 176929976
2-(2-methoxyethylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide;hydrochloride
CID 119773689
prop-2-enyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
CID 141148449
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylamino]propanamide?
The IUPAC name of 2-methyl-2-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylamino]propanamide (CID 166625545) is 2-methyl-2-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylamino]propanamide.
What is the SMILES notation for 2-methyl-2-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylamino]propanamide?
The canonical SMILES for 2-methyl-2-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylamino]propanamide is CC(C)(NCCc1ccc(OCc2cccc(C(F)(F)F)c2)cc1)C(N)=O.
What is the InChIKey of 2-methyl-2-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylamino]propanamide?
The InChIKey is HEFHXOPQEMAVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-19(2,18(24)26)25-11-10-14-6-8-17(9-7-14)27-13-15-4-3-5-16(12-15)20(21,22)23/h3-9,12,25H,10-11,13H2,1-2H3,(H2,24,26).
What are the key properties of 2-methyl-2-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylamino]propanamide?
2-methyl-2-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylamino]propanamide has a molecular weight of 380.41 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylamino]propanamide is sourced from PubChem (CID 166625545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).