2-(2-amino-5-ethoxy-4-fluoroanilino)-1-thiophen-3-ylethanol

C14H17FN2O2S — CID 106434546

IUPAC2-(2-amino-5-ethoxy-4-fluoroanilino)-1-thiophen-3-ylethanol
SMILESCCOc1cc(NCC(O)c2ccsc2)c(N)cc1F
InChIInChI=1S/C14H17FN2O2S/c1-2-19-14-6-12(11(16)5-10(14)15)17-7-13(18)9-3-4-20-8-9/h3-6,8,13,17-18H,2,7,16H2,1H3
InChIKeyFSJOJTTUMOWLRP-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.01
Rot. Bonds6

About 2-(2-amino-5-ethoxy-4-fluoroanilino)-1-thiophen-3-ylethanol

2-(2-amino-5-ethoxy-4-fluoroanilino)-1-thiophen-3-ylethanol (PubChem CID 106434546) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(2-amino-5-ethoxy-4-fluoroanilino)-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-(2-amino-5-ethoxy-4-fluoroanilino)-1-thiophen-3-ylethanol
PubChem CID106434546
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC Name2-(2-amino-5-ethoxy-4-fluoroanilino)-1-thiophen-3-ylethanol
SMILESCCOc1cc(NCC(O)c2ccsc2)c(N)cc1F
InChIInChI=1S/C14H17FN2O2S/c1-2-19-14-6-12(11(16)5-10(14)15)17-7-13(18)9-3-4-20-8-9/h3-6,8,13,17-18H,2,7,16H2,1H3
InChIKeyFSJOJTTUMOWLRP-UHFFFAOYSA-N
XLogP3.01
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-1-thiophen-3-ylethanol
CID 106434522
3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide
CID 63594462
2-(2-amino-3-methoxyanilino)-1-thiophen-3-ylethanol
CID 106434602
4-ethoxy-5-fluoro-2-N-(1,3-thiazol-2-ylmethyl)benzene-1,2-diamine
CID 55216858
4-ethoxy-5-fluoro-2-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 55218205
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188665
4-ethoxy-5-fluoro-2-N-octylbenzene-1,2-diamine
CID 115566269
1-(2-amino-5-ethoxy-4-fluoroanilino)-2-methylpentan-2-ol
CID 106290189
4-ethoxy-5-fluoro-2-N-(2-phenylethyl)benzene-1,2-diamine
CID 63593384
4-ethoxy-5-fluoro-2-N-(3-methylsulfanylbutyl)benzene-1,2-diamine
CID 113493863
3-(2-amino-4-fluoro-5-propoxyanilino)-2-hydroxypropanamide
CID 106166701
2-[(5-amino-6-propoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 106434587

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-ethoxy-4-fluoroanilino)-1-thiophen-3-ylethanol?
The IUPAC name of 2-(2-amino-5-ethoxy-4-fluoroanilino)-1-thiophen-3-ylethanol (CID 106434546) is 2-(2-amino-5-ethoxy-4-fluoroanilino)-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-(2-amino-5-ethoxy-4-fluoroanilino)-1-thiophen-3-ylethanol?
The canonical SMILES for 2-(2-amino-5-ethoxy-4-fluoroanilino)-1-thiophen-3-ylethanol is CCOc1cc(NCC(O)c2ccsc2)c(N)cc1F.
What is the InChIKey of 2-(2-amino-5-ethoxy-4-fluoroanilino)-1-thiophen-3-ylethanol?
The InChIKey is FSJOJTTUMOWLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c1-2-19-14-6-12(11(16)5-10(14)15)17-7-13(18)9-3-4-20-8-9/h3-6,8,13,17-18H,2,7,16H2,1H3.
What are the key properties of 2-(2-amino-5-ethoxy-4-fluoroanilino)-1-thiophen-3-ylethanol?
2-(2-amino-5-ethoxy-4-fluoroanilino)-1-thiophen-3-ylethanol has a molecular weight of 296.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-ethoxy-4-fluoroanilino)-1-thiophen-3-ylethanol is sourced from PubChem (CID 106434546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).