ethyl 2-(aminomethyl)-3-cyclopropyl-2-(3,5-difluorophenyl)propanoate

C15H19F2NO2 — CID 106490318

IUPACethyl 2-(aminomethyl)-3-cyclopropyl-2-(3,5-difluorophenyl)propanoate
SMILESCCOC(=O)C(CN)(CC1CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H19F2NO2/c1-2-20-14(19)15(9-18,8-10-3-4-10)11-5-12(16)7-13(17)6-11/h5-7,10H,2-4,8-9,18H2,1H3
InChIKeyXXXIXMOPAOCEPD-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.52
Rot. Bonds6

About ethyl 2-(aminomethyl)-3-cyclopropyl-2-(3,5-difluorophenyl)propanoate

ethyl 2-(aminomethyl)-3-cyclopropyl-2-(3,5-difluorophenyl)propanoate (PubChem CID 106490318) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-3-cyclopropyl-2-(3,5-difluorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-3-cyclopropyl-2-(3,5-difluorophenyl)propanoate
PubChem CID106490318
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Nameethyl 2-(aminomethyl)-3-cyclopropyl-2-(3,5-difluorophenyl)propanoate
SMILESCCOC(=O)C(CN)(CC1CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H19F2NO2/c1-2-20-14(19)15(9-18,8-10-3-4-10)11-5-12(16)7-13(17)6-11/h5-7,10H,2-4,8-9,18H2,1H3
InChIKeyXXXIXMOPAOCEPD-UHFFFAOYSA-N
XLogP2.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoate
CID 106490266
ethyl 2-(aminomethyl)-3-cyclobutyl-2-(3-fluorophenyl)propanoate
CID 106490301
ethyl 2-(aminomethyl)-2-(3,5-difluorophenyl)-4,4-difluorobutanoate
CID 106490303
ethyl 2-(aminomethyl)-4-cyclopropyl-2-(3-fluorophenyl)butanoate
CID 106490280
ethyl 2-(aminomethyl)-2-(3,5-difluorophenyl)-5-methylhexanoate
CID 106490314
ethyl 2-(aminomethyl)-2-(3,5-difluorophenyl)-5-methoxypentanoate
CID 106490323
ethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate
CID 106487001
ethyl 2-(aminomethyl)-2-(3-fluorophenyl)-6-hydroxyhexanoate
CID 106490298
2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoic acid
CID 106490422
ethyl 2-(3,5-difluorophenyl)-2-methyl-3-phenylpropanoate
CID 117048127
ethyl 2-(aminomethyl)-2-(3-fluorophenyl)-4-methylsulfonylbutanoate
CID 106490287
2-(cyclobutylmethyl)-3-ethoxy-2-(4-fluorophenyl)-3-oxopropanoic acid
CID 103974834

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-3-cyclopropyl-2-(3,5-difluorophenyl)propanoate?
The IUPAC name of ethyl 2-(aminomethyl)-3-cyclopropyl-2-(3,5-difluorophenyl)propanoate (CID 106490318) is ethyl 2-(aminomethyl)-3-cyclopropyl-2-(3,5-difluorophenyl)propanoate.
What is the SMILES notation for ethyl 2-(aminomethyl)-3-cyclopropyl-2-(3,5-difluorophenyl)propanoate?
The canonical SMILES for ethyl 2-(aminomethyl)-3-cyclopropyl-2-(3,5-difluorophenyl)propanoate is CCOC(=O)C(CN)(CC1CC1)c1cc(F)cc(F)c1.
What is the InChIKey of ethyl 2-(aminomethyl)-3-cyclopropyl-2-(3,5-difluorophenyl)propanoate?
The InChIKey is XXXIXMOPAOCEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-2-20-14(19)15(9-18,8-10-3-4-10)11-5-12(16)7-13(17)6-11/h5-7,10H,2-4,8-9,18H2,1H3.
What are the key properties of ethyl 2-(aminomethyl)-3-cyclopropyl-2-(3,5-difluorophenyl)propanoate?
ethyl 2-(aminomethyl)-3-cyclopropyl-2-(3,5-difluorophenyl)propanoate has a molecular weight of 283.32 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-3-cyclopropyl-2-(3,5-difluorophenyl)propanoate is sourced from PubChem (CID 106490318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).