4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol

C14H15ClFNOS — CID 106041812

IUPAC4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol
SMILESCC(NCCc1ccc(Cl)s1)c1ccc(O)cc1F
InChIInChI=1S/C14H15ClFNOS/c1-9(12-4-2-10(18)8-13(12)16)17-7-6-11-3-5-14(15)19-11/h2-5,8-9,17-18H,6-7H2,1H3
InChIKeyBARGTCQREGPIDG-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.14
Rot. Bonds5

About 4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol

4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol (PubChem CID 106041812) has the molecular formula C14H15ClFNOS and a molecular weight of 299.80 g/mol. Its IUPAC name is 4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol
PubChem CID106041812
Molecular FormulaC14H15ClFNOS
Molecular Weight299.80 g/mol
Exact Mass299.05
IUPAC Name4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol
SMILESCC(NCCc1ccc(Cl)s1)c1ccc(O)cc1F
InChIInChI=1S/C14H15ClFNOS/c1-9(12-4-2-10(18)8-13(12)16)17-7-6-11-3-5-14(15)19-11/h2-5,8-9,17-18H,6-7H2,1H3
InChIKeyBARGTCQREGPIDG-UHFFFAOYSA-N
XLogP4.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol?
The IUPAC name of 4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol (CID 106041812) is 4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol.
What is the SMILES notation for 4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol?
The canonical SMILES for 4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol is CC(NCCc1ccc(Cl)s1)c1ccc(O)cc1F.
What is the InChIKey of 4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol?
The InChIKey is BARGTCQREGPIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNOS/c1-9(12-4-2-10(18)8-13(12)16)17-7-6-11-3-5-14(15)19-11/h2-5,8-9,17-18H,6-7H2,1H3.
What are the key properties of 4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol?
4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol has a molecular weight of 299.80 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol is sourced from PubChem (CID 106041812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).