methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanoate

C15H18F3NO2 — CID 64565043

IUPACmethyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanoate
SMILESCOC(=O)C(CN(CC(F)(F)F)C1CC1)c1ccccc1
InChIInChI=1S/C15H18F3NO2/c1-21-14(20)13(11-5-3-2-4-6-11)9-19(12-7-8-12)10-15(16,17)18/h2-6,12-13H,7-10H2,1H3
InChIKeyIOCTWYWKKHYACU-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.97
Rot. Bonds6

About methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanoate

methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanoate (PubChem CID 64565043) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanoate
PubChem CID64565043
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Namemethyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanoate
SMILESCOC(=O)C(CN(CC(F)(F)F)C1CC1)c1ccccc1
InChIInChI=1S/C15H18F3NO2/c1-21-14(20)13(11-5-3-2-4-6-11)9-19(12-7-8-12)10-15(16,17)18/h2-6,12-13H,7-10H2,1H3
InChIKeyIOCTWYWKKHYACU-UHFFFAOYSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 77044047
methyl 3-[(4-aminocyclohexyl)-methylamino]-2-phenylpropanoate
CID 79114920
N'-cyclopropyl-N,2-dimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62618413
methyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate
CID 64566456
methyl 2-phenyl-3-[propyl(pyrrolidin-3-yl)amino]propanoate
CID 64560589
3-[cyclopropyl(ethyl)amino]-2-phenylpropanehydrazide
CID 64566245
methyl 3-[cyclopropylmethyl(propan-2-yl)amino]-2-phenylpropanoate
CID 64567315
methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate
CID 64567717
methyl 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-phenylpropanoate
CID 79652279
methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-phenylpropanoate
CID 64559421
methyl 3-[(2-amino-1-cyclopropylethyl)-methylamino]-2-phenylpropanoate
CID 116653047
methyl 3-[bis(2-amino-2-oxoethyl)amino]-2-phenylpropanoate
CID 64567726

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanoate?
The IUPAC name of methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanoate (CID 64565043) is methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanoate.
What is the SMILES notation for methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanoate?
The canonical SMILES for methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanoate is COC(=O)C(CN(CC(F)(F)F)C1CC1)c1ccccc1.
What is the InChIKey of methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanoate?
The InChIKey is IOCTWYWKKHYACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-21-14(20)13(11-5-3-2-4-6-11)9-19(12-7-8-12)10-15(16,17)18/h2-6,12-13H,7-10H2,1H3.
What are the key properties of methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanoate?
methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanoate has a molecular weight of 301.31 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanoate is sourced from PubChem (CID 64565043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).