ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate

C15H20F3NO2 — CID 60796515

IUPACethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate
SMILESCCCNC(C)(C(=O)OCC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO2/c1-4-10-19-14(3,13(20)21-5-2)11-6-8-12(9-7-11)15(16,17)18/h6-9,19H,4-5,10H2,1-3H3
InChIKeyVRWOPUUQPJVVDH-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.48
Rot. Bonds6

About ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate

ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate (PubChem CID 60796515) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate
PubChem CID60796515
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Nameethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate
SMILESCCCNC(C)(C(=O)OCC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO2/c1-4-10-19-14(3,13(20)21-5-2)11-6-8-12(9-7-11)15(16,17)18/h6-9,19H,4-5,10H2,1-3H3
InChIKeyVRWOPUUQPJVVDH-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate
CID 60795500
ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
CID 60797164
ethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate
CID 60796519
ethyl 2-(4-methylsulfonylphenyl)-2-(propylamino)propanoate
CID 60796388
ethyl 2-anilino-2-[4-(trifluoromethyl)phenyl]propanoate
CID 59200602
ethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate
CID 61001287
methyl 2-(propylamino)-2-pyridin-4-ylpropanoate
CID 60795990
ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate
CID 60796649
ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 62541881
ethyl 2-(2-azidoethylamino)-2-(4-methylsulfanylphenyl)propanoate
CID 66191230
ethyl 2-(3-azidopropylamino)-2-(4-chlorophenyl)propanoate
CID 66188930
ethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate
CID 60786372

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate?
The IUPAC name of ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate (CID 60796515) is ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate.
What is the SMILES notation for ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate?
The canonical SMILES for ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate is CCCNC(C)(C(=O)OCC)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate?
The InChIKey is VRWOPUUQPJVVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-4-10-19-14(3,13(20)21-5-2)11-6-8-12(9-7-11)15(16,17)18/h6-9,19H,4-5,10H2,1-3H3.
What are the key properties of ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate?
ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate has a molecular weight of 303.32 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate is sourced from PubChem (CID 60796515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).