[1-cyclopropyl-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propyl] propanoate

C18H24F3NO2 — CID 21488081

IUPAC[1-cyclopropyl-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propyl] propanoate
SMILESCCC(=O)OC(CCN(C)C)(c1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C18H24F3NO2/c1-4-16(23)24-17(13-8-9-13,10-11-22(2)3)14-6-5-7-15(12-14)18(19,20)21/h5-7,12-13H,4,8-11H2,1-3H3
InChIKeyWWYAVIVVWTZQBV-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.22
Rot. Bonds7

About [1-cyclopropyl-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propyl] propanoate

[1-cyclopropyl-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propyl] propanoate (PubChem CID 21488081) has the molecular formula C18H24F3NO2 and a molecular weight of 343.39 g/mol. Its IUPAC name is [1-cyclopropyl-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propyl] propanoate.

Molecular Properties

Compound Name[1-cyclopropyl-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propyl] propanoate
PubChem CID21488081
Molecular FormulaC18H24F3NO2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name[1-cyclopropyl-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propyl] propanoate
SMILESCCC(=O)OC(CCN(C)C)(c1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C18H24F3NO2/c1-4-16(23)24-17(13-8-9-13,10-11-22(2)3)14-6-5-7-15(12-14)18(19,20)21/h5-7,12-13H,4,8-11H2,1-3H3
InChIKeyWWYAVIVVWTZQBV-UHFFFAOYSA-N
XLogP4.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 11000484
1-N-[2-(dimethylamino)ethyl]-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109147133
3-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butanamide
CID 67553495
1-(4-ethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 65393505
1-N-[3-(dimethylamino)propyl]-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109147332
1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 79057674
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 91610944
2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 63541225
N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolidine-3-carboxamide
CID 75613825
N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 51097153
methylcyclopropane;methyl 2,2-difluoro-2-[3-(trifluoromethyl)phenyl]acetate
CID 176659778
methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate
CID 61383269

Frequently Asked Questions

What is the IUPAC name of [1-cyclopropyl-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propyl] propanoate?
The IUPAC name of [1-cyclopropyl-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propyl] propanoate (CID 21488081) is [1-cyclopropyl-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propyl] propanoate.
What is the SMILES notation for [1-cyclopropyl-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propyl] propanoate?
The canonical SMILES for [1-cyclopropyl-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propyl] propanoate is CCC(=O)OC(CCN(C)C)(c1cccc(C(F)(F)F)c1)C1CC1.
What is the InChIKey of [1-cyclopropyl-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propyl] propanoate?
The InChIKey is WWYAVIVVWTZQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3NO2/c1-4-16(23)24-17(13-8-9-13,10-11-22(2)3)14-6-5-7-15(12-14)18(19,20)21/h5-7,12-13H,4,8-11H2,1-3H3.
What are the key properties of [1-cyclopropyl-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propyl] propanoate?
[1-cyclopropyl-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propyl] propanoate has a molecular weight of 343.39 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropyl-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propyl] propanoate is sourced from PubChem (CID 21488081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).