ethyl 2-(2-methylpropylamino)-2-[2-(trifluoromethyl)phenyl]acetate

C15H20F3NO2 — CID 61001442

IUPACethyl 2-(2-methylpropylamino)-2-[2-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)C(NCC(C)C)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H20F3NO2/c1-4-21-14(20)13(19-9-10(2)3)11-7-5-6-8-12(11)15(16,17)18/h5-8,10,13,19H,4,9H2,1-3H3
InChIKeySCFIOHMGOLIJNH-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.56
Rot. Bonds6

About ethyl 2-(2-methylpropylamino)-2-[2-(trifluoromethyl)phenyl]acetate

ethyl 2-(2-methylpropylamino)-2-[2-(trifluoromethyl)phenyl]acetate (PubChem CID 61001442) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is ethyl 2-(2-methylpropylamino)-2-[2-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-(2-methylpropylamino)-2-[2-(trifluoromethyl)phenyl]acetate
PubChem CID61001442
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Nameethyl 2-(2-methylpropylamino)-2-[2-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)C(NCC(C)C)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H20F3NO2/c1-4-21-14(20)13(19-9-10(2)3)11-7-5-6-8-12(11)15(16,17)18/h5-8,10,13,19H,4,9H2,1-3H3
InChIKeySCFIOHMGOLIJNH-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-cyclopropylphenyl)-2-(2-methylpropylamino)acetate
CID 79983186
ethyl (2S)-2-cyano-2-[2-(trifluoromethyl)phenyl]acetate
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ethyl 2,3-dihydroxy-3-[2-(trifluoromethyl)phenyl]propanoate
CID 171866347
ethyl (3R)-3-amino-3-[2-(trifluoromethyl)phenyl]propanoate
CID 29059632
ethyl 2-[hydroxy-[2-(trifluoromethyl)phenyl]methyl]butanoate
CID 62394555
ethyl 2-[2-(trifluoromethyl)anilino]propanoate
CID 55031551
ethyl (3S)-3-amino-2,2-difluoro-3-[2-(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171248576
2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 54908281
ethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 61002775
ethyl (2R)-2-phenyl-2-[[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]amino]acetate
CID 178178540
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 16771420
methyl 2-(2-azidoethylamino)-2-[2-(trifluoromethyl)phenyl]acetate
CID 66189224

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylpropylamino)-2-[2-(trifluoromethyl)phenyl]acetate?
The IUPAC name of ethyl 2-(2-methylpropylamino)-2-[2-(trifluoromethyl)phenyl]acetate (CID 61001442) is ethyl 2-(2-methylpropylamino)-2-[2-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-(2-methylpropylamino)-2-[2-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for ethyl 2-(2-methylpropylamino)-2-[2-(trifluoromethyl)phenyl]acetate is CCOC(=O)C(NCC(C)C)c1ccccc1C(F)(F)F.
What is the InChIKey of ethyl 2-(2-methylpropylamino)-2-[2-(trifluoromethyl)phenyl]acetate?
The InChIKey is SCFIOHMGOLIJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-4-21-14(20)13(19-9-10(2)3)11-7-5-6-8-12(11)15(16,17)18/h5-8,10,13,19H,4,9H2,1-3H3.
What are the key properties of ethyl 2-(2-methylpropylamino)-2-[2-(trifluoromethyl)phenyl]acetate?
ethyl 2-(2-methylpropylamino)-2-[2-(trifluoromethyl)phenyl]acetate has a molecular weight of 303.32 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylpropylamino)-2-[2-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 61001442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).