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

C15H19NO3S — CID 106435231

IUPAC2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol
SMILESCOc1ccccc1OCCNCC(O)c1ccsc1
InChIInChI=1S/C15H19NO3S/c1-18-14-4-2-3-5-15(14)19-8-7-16-10-13(17)12-6-9-20-11-12/h2-6,9,11,13,16-17H,7-8,10H2,1H3
InChIKeyALNKLGFTQAIQDZ-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.46
Rot. Bonds8

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

2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol (PubChem CID 106435231) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol
PubChem CID106435231
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol
SMILESCOc1ccccc1OCCNCC(O)c1ccsc1
InChIInChI=1S/C15H19NO3S/c1-18-14-4-2-3-5-15(14)19-8-7-16-10-13(17)12-6-9-20-11-12/h2-6,9,11,13,16-17H,7-8,10H2,1H3
InChIKeyALNKLGFTQAIQDZ-UHFFFAOYSA-N
XLogP2.46
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.46
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

N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride
CID 117067322
2-[2-(2-methoxyphenoxy)ethylamino]-1-(4-methyl-3-methylsulfanylphenyl)ethanol
CID 14676134
2-[2-(3-methoxypropoxy)ethylamino]-1-thiophen-3-ylethanol
CID 106435055
2-[(3-methoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 106435613
2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propanamide
CID 106174794
1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol
CID 107152431
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
CID 106435089
1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol
CID 106435290
2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol
CID 103785255
(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol
CID 125487777
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methoxyphenyl)urea
CID 52992664
4-[1-hydroxy-2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide
CID 23615563

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol (CID 106435231) is 2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol is COc1ccccc1OCCNCC(O)c1ccsc1.
What is the InChIKey of 2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol?
The InChIKey is ALNKLGFTQAIQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-18-14-4-2-3-5-15(14)19-8-7-16-10-13(17)12-6-9-20-11-12/h2-6,9,11,13,16-17H,7-8,10H2,1H3.
What are the key properties of 2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol?
2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol has a molecular weight of 293.39 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 106435231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).