ethyl 2-(cyclopropylamino)-3-(3-fluoro-4-methylphenoxy)propanoate

C15H20FNO3 — CID 107170380

IUPACethyl 2-(cyclopropylamino)-3-(3-fluoro-4-methylphenoxy)propanoate
SMILESCCOC(=O)C(COc1ccc(C)c(F)c1)NC1CC1
InChIInChI=1S/C15H20FNO3/c1-3-19-15(18)14(17-11-5-6-11)9-20-12-7-4-10(2)13(16)8-12/h4,7-8,11,14,17H,3,5-6,9H2,1-2H3
InChIKeyWILFAULBRNLPCV-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.20
Rot. Bonds7

About ethyl 2-(cyclopropylamino)-3-(3-fluoro-4-methylphenoxy)propanoate

ethyl 2-(cyclopropylamino)-3-(3-fluoro-4-methylphenoxy)propanoate (PubChem CID 107170380) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-3-(3-fluoro-4-methylphenoxy)propanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-3-(3-fluoro-4-methylphenoxy)propanoate
PubChem CID107170380
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Nameethyl 2-(cyclopropylamino)-3-(3-fluoro-4-methylphenoxy)propanoate
SMILESCCOC(=O)C(COc1ccc(C)c(F)c1)NC1CC1
InChIInChI=1S/C15H20FNO3/c1-3-19-15(18)14(17-11-5-6-11)9-20-12-7-4-10(2)13(16)8-12/h4,7-8,11,14,17H,3,5-6,9H2,1-2H3
InChIKeyWILFAULBRNLPCV-UHFFFAOYSA-N
XLogP2.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-fluoro-4-methylphenoxy)-2-(propylamino)propanoate
CID 107170379
methyl 2-(cyclopropylamino)-3-(3-ethoxyphenoxy)propanoate
CID 62336177
2-(ethylamino)-3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107170360
ethyl 4-(3-fluoro-4-methylphenoxy)-2-(propan-2-ylamino)butanoate
CID 107170470
2-(cyclopropylamino)-4-(3,4-difluorophenoxy)butanamide
CID 63035661
ethyl 3-(3,4-dimethylphenoxy)-2-methylpropanoate
CID 115002230
ethyl 2-(cyclopropylamino)-2-(3,4,5-trifluorophenyl)acetate
CID 55147934
ethyl 4-(3,4-difluorophenoxy)-2-(methylamino)butanoate
CID 63035662
2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107171030
N-[2-(3-fluoro-4-methylphenoxy)propyl]cyclopropanamine
CID 107170738
2-amino-3-(3-fluoro-4-methylphenoxy)-2-methylpropanamide
CID 107170404
4-(3-fluoro-4-methylphenoxy)-2-(methylamino)butanamide
CID 107170389

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-3-(3-fluoro-4-methylphenoxy)propanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-3-(3-fluoro-4-methylphenoxy)propanoate (CID 107170380) is ethyl 2-(cyclopropylamino)-3-(3-fluoro-4-methylphenoxy)propanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-3-(3-fluoro-4-methylphenoxy)propanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-3-(3-fluoro-4-methylphenoxy)propanoate is CCOC(=O)C(COc1ccc(C)c(F)c1)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-3-(3-fluoro-4-methylphenoxy)propanoate?
The InChIKey is WILFAULBRNLPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-3-19-15(18)14(17-11-5-6-11)9-20-12-7-4-10(2)13(16)8-12/h4,7-8,11,14,17H,3,5-6,9H2,1-2H3.
What are the key properties of ethyl 2-(cyclopropylamino)-3-(3-fluoro-4-methylphenoxy)propanoate?
ethyl 2-(cyclopropylamino)-3-(3-fluoro-4-methylphenoxy)propanoate has a molecular weight of 281.33 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-3-(3-fluoro-4-methylphenoxy)propanoate is sourced from PubChem (CID 107170380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).