2-[(3-methoxythiophen-2-yl)methylamino]ethanol

C8H13NO2S — CID 115710462

IUPAC2-[(3-methoxythiophen-2-yl)methylamino]ethanol
SMILESCOc1ccsc1CNCCO
InChIInChI=1S/C8H13NO2S/c1-11-7-2-5-12-8(7)6-9-3-4-10/h2,5,9-10H,3-4,6H2,1H3
InChIKeyKPUDXZMNLKEGHO-UHFFFAOYSA-N
MW187.26 g/mol
LogP0.84
Rot. Bonds5

About 2-[(3-methoxythiophen-2-yl)methylamino]ethanol

2-[(3-methoxythiophen-2-yl)methylamino]ethanol (PubChem CID 115710462) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-[(3-methoxythiophen-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(3-methoxythiophen-2-yl)methylamino]ethanol
PubChem CID115710462
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name2-[(3-methoxythiophen-2-yl)methylamino]ethanol
SMILESCOc1ccsc1CNCCO
InChIInChI=1S/C8H13NO2S/c1-11-7-2-5-12-8(7)6-9-3-4-10/h2,5,9-10H,3-4,6H2,1H3
InChIKeyKPUDXZMNLKEGHO-UHFFFAOYSA-N
XLogP0.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-N-[(3-methoxythiophen-2-yl)methyl]pentan-1-amine
CID 115710643
N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722
2-[(2,6-dimethoxyphenyl)methylamino]ethanol
CID 82673406
[1-[(3-methoxythiophen-2-yl)methylamino]cyclopentyl]methanol
CID 115711097
1-N-(2-methoxyethyl)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine
CID 113407643
(2R)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine
CID 104868109
1-methoxy-N-[(3-methoxythiophen-2-yl)methyl]-2-methylpropan-2-amine
CID 115710675
2-[(3-methoxythiophen-2-yl)methylamino]cyclopentan-1-ol
CID 115710956
N-[(3-methoxythiophen-2-yl)methyl]-3-methylcyclobutan-1-amine
CID 115711072
N-[(3-methoxythiophen-2-yl)methyl]-5-methylhexan-2-amine
CID 115710390
2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294920
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxythiophen-2-yl)methylamino]ethanol?
The IUPAC name of 2-[(3-methoxythiophen-2-yl)methylamino]ethanol (CID 115710462) is 2-[(3-methoxythiophen-2-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(3-methoxythiophen-2-yl)methylamino]ethanol?
The canonical SMILES for 2-[(3-methoxythiophen-2-yl)methylamino]ethanol is COc1ccsc1CNCCO.
What is the InChIKey of 2-[(3-methoxythiophen-2-yl)methylamino]ethanol?
The InChIKey is KPUDXZMNLKEGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-11-7-2-5-12-8(7)6-9-3-4-10/h2,5,9-10H,3-4,6H2,1H3.
What are the key properties of 2-[(3-methoxythiophen-2-yl)methylamino]ethanol?
2-[(3-methoxythiophen-2-yl)methylamino]ethanol has a molecular weight of 187.26 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxythiophen-2-yl)methylamino]ethanol is sourced from PubChem (CID 115710462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).