ethyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]acetate

C15H16FNO2S — CID 61103810

IUPACethyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1ccc(F)c(-c2cccs2)c1
InChIInChI=1S/C15H16FNO2S/c1-2-19-15(18)10-17-9-11-5-6-13(16)12(8-11)14-4-3-7-20-14/h3-8,17H,2,9-10H2,1H3
InChIKeyOHSHHGUTLDVRDC-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.21
Rot. Bonds6

About ethyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]acetate

ethyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]acetate (PubChem CID 61103810) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]acetate
PubChem CID61103810
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Nameethyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1ccc(F)c(-c2cccs2)c1
InChIInChI=1S/C15H16FNO2S/c1-2-19-15(18)10-17-9-11-5-6-13(16)12(8-11)14-4-3-7-20-14/h3-8,17H,2,9-10H2,1H3
InChIKeyOHSHHGUTLDVRDC-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]propanamide
CID 61103230
3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-N,N-dimethylpropanamide
CID 61104199
N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
CID 82709130
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656201
ethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate
CID 62537294
ethyl 2-[(3-fluoro-4-methylphenyl)methylamino]acetate
CID 60721361
2-ethylsulfinyl-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine
CID 115627155
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
CID 71890514
methyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-2-methylpropanoate
CID 61103428
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 61104385
1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 61060963
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline
CID 63420445

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]acetate?
The IUPAC name of ethyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]acetate (CID 61103810) is ethyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]acetate is CCOC(=O)CNCc1ccc(F)c(-c2cccs2)c1.
What is the InChIKey of ethyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]acetate?
The InChIKey is OHSHHGUTLDVRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-2-19-15(18)10-17-9-11-5-6-13(16)12(8-11)14-4-3-7-20-14/h3-8,17H,2,9-10H2,1H3.
What are the key properties of ethyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]acetate?
ethyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]acetate has a molecular weight of 293.36 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]acetate is sourced from PubChem (CID 61103810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).