methyl 2-cyclopropyl-2-(ethylamino)-3-(5-fluoro-2-methylphenoxy)propanoate

C16H22FNO3 — CID 102983960

IUPACmethyl 2-cyclopropyl-2-(ethylamino)-3-(5-fluoro-2-methylphenoxy)propanoate
SMILESCCNC(COc1cc(F)ccc1C)(C(=O)OC)C1CC1
InChIInChI=1S/C16H22FNO3/c1-4-18-16(12-6-7-12,15(19)20-3)10-21-14-9-13(17)8-5-11(14)2/h5,8-9,12,18H,4,6-7,10H2,1-3H3
InChIKeyBIMPAKMUDWZMSD-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.44
Rot. Bonds7

About methyl 2-cyclopropyl-2-(ethylamino)-3-(5-fluoro-2-methylphenoxy)propanoate

methyl 2-cyclopropyl-2-(ethylamino)-3-(5-fluoro-2-methylphenoxy)propanoate (PubChem CID 102983960) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(ethylamino)-3-(5-fluoro-2-methylphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(ethylamino)-3-(5-fluoro-2-methylphenoxy)propanoate
PubChem CID102983960
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Namemethyl 2-cyclopropyl-2-(ethylamino)-3-(5-fluoro-2-methylphenoxy)propanoate
SMILESCCNC(COc1cc(F)ccc1C)(C(=O)OC)C1CC1
InChIInChI=1S/C16H22FNO3/c1-4-18-16(12-6-7-12,15(19)20-3)10-21-14-9-13(17)8-5-11(14)2/h5,8-9,12,18H,4,6-7,10H2,1-3H3
InChIKeyBIMPAKMUDWZMSD-UHFFFAOYSA-N
XLogP2.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate
CID 63920176
methyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate
CID 63920379
2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propan-2-ylamino)propanoic acid
CID 102983623
2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol
CID 102988099
methyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate
CID 63921165
methyl 2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)-2-methylbutanoate
CID 102983783
2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane
CID 162532018
methyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate
CID 63918602
methyl 2-cyclopropyl-2-(ethylamino)-3-(N-methylanilino)propanoate
CID 63906606
methyl 2-cyclopropyl-2-(ethylamino)-3-pyrimidin-4-ylsulfanylpropanoate
CID 63919683
2-cyclopropyl-2-(methylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propanamide
CID 63920114
methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate
CID 63906010

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(ethylamino)-3-(5-fluoro-2-methylphenoxy)propanoate?
The IUPAC name of methyl 2-cyclopropyl-2-(ethylamino)-3-(5-fluoro-2-methylphenoxy)propanoate (CID 102983960) is methyl 2-cyclopropyl-2-(ethylamino)-3-(5-fluoro-2-methylphenoxy)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(ethylamino)-3-(5-fluoro-2-methylphenoxy)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-2-(ethylamino)-3-(5-fluoro-2-methylphenoxy)propanoate is CCNC(COc1cc(F)ccc1C)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(ethylamino)-3-(5-fluoro-2-methylphenoxy)propanoate?
The InChIKey is BIMPAKMUDWZMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-4-18-16(12-6-7-12,15(19)20-3)10-21-14-9-13(17)8-5-11(14)2/h5,8-9,12,18H,4,6-7,10H2,1-3H3.
What are the key properties of methyl 2-cyclopropyl-2-(ethylamino)-3-(5-fluoro-2-methylphenoxy)propanoate?
methyl 2-cyclopropyl-2-(ethylamino)-3-(5-fluoro-2-methylphenoxy)propanoate has a molecular weight of 295.35 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(ethylamino)-3-(5-fluoro-2-methylphenoxy)propanoate is sourced from PubChem (CID 102983960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).