2-[3-[(5-methoxythiophen-2-yl)methylamino]propoxy]ethanol

C11H19NO3S — CID 103992523

IUPAC2-[3-[(5-methoxythiophen-2-yl)methylamino]propoxy]ethanol
SMILESCOc1ccc(CNCCCOCCO)s1
InChIInChI=1S/C11H19NO3S/c1-14-11-4-3-10(16-11)9-12-5-2-7-15-8-6-13/h3-4,12-13H,2,5-9H2,1H3
InChIKeyUXCKCLLHNOJJBZ-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.25
Rot. Bonds9

About 2-[3-[(5-methoxythiophen-2-yl)methylamino]propoxy]ethanol

2-[3-[(5-methoxythiophen-2-yl)methylamino]propoxy]ethanol (PubChem CID 103992523) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 2-[3-[(5-methoxythiophen-2-yl)methylamino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[(5-methoxythiophen-2-yl)methylamino]propoxy]ethanol
PubChem CID103992523
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name2-[3-[(5-methoxythiophen-2-yl)methylamino]propoxy]ethanol
SMILESCOc1ccc(CNCCCOCCO)s1
InChIInChI=1S/C11H19NO3S/c1-14-11-4-3-10(16-11)9-12-5-2-7-15-8-6-13/h3-4,12-13H,2,5-9H2,1H3
InChIKeyUXCKCLLHNOJJBZ-UHFFFAOYSA-N
XLogP1.25
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(5-methoxythiophen-2-yl)methylamino]ethylsulfanyl]propan-1-ol
CID 115702440
N-[(5-methoxythiophen-2-yl)methyl]hexan-1-amine
CID 115702222
N-[(5-methoxythiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 115702501
2-cyclobutyl-N-[(5-methoxythiophen-2-yl)methyl]ethanamine
CID 115702786
N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylethanamine
CID 115702493
2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol
CID 103992620
methyl 2-[5-[(3-propoxypropylamino)methyl]thiophen-2-yl]acetate
CID 82942790
2-[2-[(5-ethynylthiophen-2-yl)methylamino]ethoxy]ethanol
CID 139401437
2-[(5-methoxythiophen-2-yl)methylamino]-N,N-dimethylacetamide
CID 115702261
2-[3-[(4-tert-butylphenyl)methylamino]propoxy]ethanol
CID 103992731
2-[3-[(3,5-dimethylphenyl)methylamino]propoxy]ethanol
CID 103992424
5-[(3-butoxypropylamino)methyl]thiophene-2-carbonitrile
CID 115675311

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-methoxythiophen-2-yl)methylamino]propoxy]ethanol?
The IUPAC name of 2-[3-[(5-methoxythiophen-2-yl)methylamino]propoxy]ethanol (CID 103992523) is 2-[3-[(5-methoxythiophen-2-yl)methylamino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[(5-methoxythiophen-2-yl)methylamino]propoxy]ethanol?
The canonical SMILES for 2-[3-[(5-methoxythiophen-2-yl)methylamino]propoxy]ethanol is COc1ccc(CNCCCOCCO)s1.
What is the InChIKey of 2-[3-[(5-methoxythiophen-2-yl)methylamino]propoxy]ethanol?
The InChIKey is UXCKCLLHNOJJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-14-11-4-3-10(16-11)9-12-5-2-7-15-8-6-13/h3-4,12-13H,2,5-9H2,1H3.
What are the key properties of 2-[3-[(5-methoxythiophen-2-yl)methylamino]propoxy]ethanol?
2-[3-[(5-methoxythiophen-2-yl)methylamino]propoxy]ethanol has a molecular weight of 245.34 g/mol, XLogP of 1.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-methoxythiophen-2-yl)methylamino]propoxy]ethanol is sourced from PubChem (CID 103992523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).