1-[(5-chlorothiophen-2-yl)-methylamino]ethanol

C7H10ClNOS — CID 151088471

IUPAC1-[(5-chlorothiophen-2-yl)-methylamino]ethanol
SMILESCC(O)N(C)c1ccc(Cl)s1
InChIInChI=1S/C7H10ClNOS/c1-5(10)9(2)7-4-3-6(8)11-7/h3-5,10H,1-2H3
InChIKeyMLPTTYVCTHJPDH-UHFFFAOYSA-N
MW191.68 g/mol
LogP2.18
Rot. Bonds2

About 1-[(5-chlorothiophen-2-yl)-methylamino]ethanol

1-[(5-chlorothiophen-2-yl)-methylamino]ethanol (PubChem CID 151088471) has the molecular formula C7H10ClNOS and a molecular weight of 191.68 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)-methylamino]ethanol.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)-methylamino]ethanol
PubChem CID151088471
Molecular FormulaC7H10ClNOS
Molecular Weight191.68 g/mol
Exact Mass191.02
IUPAC Name1-[(5-chlorothiophen-2-yl)-methylamino]ethanol
SMILESCC(O)N(C)c1ccc(Cl)s1
InChIInChI=1S/C7H10ClNOS/c1-5(10)9(2)7-4-3-6(8)11-7/h3-5,10H,1-2H3
InChIKeyMLPTTYVCTHJPDH-UHFFFAOYSA-N
XLogP2.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.68
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)-methylamino]ethanol?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)-methylamino]ethanol (CID 151088471) is 1-[(5-chlorothiophen-2-yl)-methylamino]ethanol.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)-methylamino]ethanol?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)-methylamino]ethanol is CC(O)N(C)c1ccc(Cl)s1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)-methylamino]ethanol?
The InChIKey is MLPTTYVCTHJPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNOS/c1-5(10)9(2)7-4-3-6(8)11-7/h3-5,10H,1-2H3.
What are the key properties of 1-[(5-chlorothiophen-2-yl)-methylamino]ethanol?
1-[(5-chlorothiophen-2-yl)-methylamino]ethanol has a molecular weight of 191.68 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)-methylamino]ethanol is sourced from PubChem (CID 151088471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).