ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate

C14H20FNO2 — CID 62121338

IUPACethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate
SMILESCCCNC(C(=O)OCC)c1ccc(F)c(C)c1
InChIInChI=1S/C14H20FNO2/c1-4-8-16-13(14(17)18-5-2)11-6-7-12(15)10(3)9-11/h6-7,9,13,16H,4-5,8H2,1-3H3
InChIKeyFUSILJRLJPMUIW-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.74
Rot. Bonds6

About ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate

ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate (PubChem CID 62121338) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate
PubChem CID62121338
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Nameethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate
SMILESCCCNC(C(=O)OCC)c1ccc(F)c(C)c1
InChIInChI=1S/C14H20FNO2/c1-4-8-16-13(14(17)18-5-2)11-6-7-12(15)10(3)9-11/h6-7,9,13,16H,4-5,8H2,1-3H3
InChIKeyFUSILJRLJPMUIW-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate
CID 60797038
ethyl 2-(4-fluoro-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 62121692
ethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate
CID 79366877
ethyl 2-(3-fluoro-4-methylphenyl)-2-(prop-2-ynylamino)acetate
CID 63648457
ethyl (2S)-2-(3,4-difluorophenyl)-2-(methylamino)acetate
CID 51888823
ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate
CID 60795637
ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate
CID 60874093
ethyl 2-(3,4-dimethylphenyl)-2-(prop-2-enylamino)acetate
CID 62352914
2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 116717243
ethyl 4-(4-fluoro-3-methylphenyl)-4-oxo-3-(propylamino)butanoate
CID 82322205
ethyl 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetate
CID 107690318
N-[(3-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413566

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate?
The IUPAC name of ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate (CID 62121338) is ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate.
What is the SMILES notation for ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate?
The canonical SMILES for ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate is CCCNC(C(=O)OCC)c1ccc(F)c(C)c1.
What is the InChIKey of ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate?
The InChIKey is FUSILJRLJPMUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-4-8-16-13(14(17)18-5-2)11-6-7-12(15)10(3)9-11/h6-7,9,13,16H,4-5,8H2,1-3H3.
What are the key properties of ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate?
ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate has a molecular weight of 253.32 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate is sourced from PubChem (CID 62121338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).