2-[2-(3-methoxypropoxy)ethylamino]-1-thiophen-3-ylethanol

C12H21NO3S — CID 106435055

IUPAC2-[2-(3-methoxypropoxy)ethylamino]-1-thiophen-3-ylethanol
SMILESCOCCCOCCNCC(O)c1ccsc1
InChIInChI=1S/C12H21NO3S/c1-15-5-2-6-16-7-4-13-9-12(14)11-3-8-17-10-11/h3,8,10,12-14H,2,4-7,9H2,1H3
InChIKeyMJVPEYZNVCKRTC-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.42
Rot. Bonds10

About 2-[2-(3-methoxypropoxy)ethylamino]-1-thiophen-3-ylethanol

2-[2-(3-methoxypropoxy)ethylamino]-1-thiophen-3-ylethanol (PubChem CID 106435055) has the molecular formula C12H21NO3S and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)ethylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)ethylamino]-1-thiophen-3-ylethanol
PubChem CID106435055
Molecular FormulaC12H21NO3S
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC Name2-[2-(3-methoxypropoxy)ethylamino]-1-thiophen-3-ylethanol
SMILESCOCCCOCCNCC(O)c1ccsc1
InChIInChI=1S/C12H21NO3S/c1-15-5-2-6-16-7-4-13-9-12(14)11-3-8-17-10-11/h3,8,10,12-14H,2,4-7,9H2,1H3
InChIKeyMJVPEYZNVCKRTC-UHFFFAOYSA-N
XLogP1.42
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.42
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

1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol
CID 106435290
1-thiophen-3-yl-2-[2-(trifluoromethoxy)ethylamino]ethanol
CID 106435353
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
CID 106435089
2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol
CID 106435231
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol
CID 106434996
3-methoxy-1-thiophen-3-ylpropan-1-ol
CID 62608736
2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol
CID 106435161
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol
CID 106434954
2-[3-(2-methoxyethoxy)propylamino]-1-phenylethanol
CID 103603620
1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol
CID 106435115

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropoxy)ethylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[2-(3-methoxypropoxy)ethylamino]-1-thiophen-3-ylethanol (CID 106435055) is 2-[2-(3-methoxypropoxy)ethylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)ethylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[2-(3-methoxypropoxy)ethylamino]-1-thiophen-3-ylethanol is COCCCOCCNCC(O)c1ccsc1.
What is the InChIKey of 2-[2-(3-methoxypropoxy)ethylamino]-1-thiophen-3-ylethanol?
The InChIKey is MJVPEYZNVCKRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S/c1-15-5-2-6-16-7-4-13-9-12(14)11-3-8-17-10-11/h3,8,10,12-14H,2,4-7,9H2,1H3.
What are the key properties of 2-[2-(3-methoxypropoxy)ethylamino]-1-thiophen-3-ylethanol?
2-[2-(3-methoxypropoxy)ethylamino]-1-thiophen-3-ylethanol has a molecular weight of 259.37 g/mol, XLogP of 1.42, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropoxy)ethylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 106435055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).