methyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate

C14H20FNO3 — CID 60796252

IUPACmethyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate
SMILESCCCNC(C)(C(=O)OC)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H20FNO3/c1-5-8-16-14(2,13(17)19-4)10-6-7-12(18-3)11(15)9-10/h6-7,9,16H,5,8H2,1-4H3
InChIKeyJYGBSXVAOHVVJA-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.22
Rot. Bonds6

About methyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate

methyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate (PubChem CID 60796252) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is methyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate
PubChem CID60796252
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Namemethyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate
SMILESCCCNC(C)(C(=O)OC)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H20FNO3/c1-5-8-16-14(2,13(17)19-4)10-6-7-12(18-3)11(15)9-10/h6-7,9,16H,5,8H2,1-4H3
InChIKeyJYGBSXVAOHVVJA-UHFFFAOYSA-N
XLogP2.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate
CID 62214650
methyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate
CID 60998641
methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate
CID 60796122
methyl 2-[4-(difluoromethoxy)phenyl]-2-(propylamino)propanoate
CID 60795366
methyl 2-(propylamino)-2-pyridin-4-ylpropanoate
CID 60795990
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide
CID 54889835
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanoic acid
CID 61003000
methyl 2-(2-azidoethylamino)-2-(4-hydroxy-3-methoxyphenyl)propanoate
CID 66190024
ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
CID 60797164
2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide
CID 60788030
ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate
CID 60796515
methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate
CID 60788040

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate?
The IUPAC name of methyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate (CID 60796252) is methyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate.
What is the SMILES notation for methyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate?
The canonical SMILES for methyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate is CCCNC(C)(C(=O)OC)c1ccc(OC)c(F)c1.
What is the InChIKey of methyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate?
The InChIKey is JYGBSXVAOHVVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-5-8-16-14(2,13(17)19-4)10-6-7-12(18-3)11(15)9-10/h6-7,9,16H,5,8H2,1-4H3.
What are the key properties of methyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate?
methyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate has a molecular weight of 269.32 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate is sourced from PubChem (CID 60796252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).