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

C15H19NO2S — CID 55012484

IUPAC2-[2-(3-methylphenoxy)ethylamino]-1-thiophen-2-ylethanol
SMILESCc1cccc(OCCNCC(O)c2cccs2)c1
InChIInChI=1S/C15H19NO2S/c1-12-4-2-5-13(10-12)18-8-7-16-11-14(17)15-6-3-9-19-15/h2-6,9-10,14,16-17H,7-8,11H2,1H3
InChIKeyHVGHORCPLNJCEN-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.76
Rot. Bonds7

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

2-[2-(3-methylphenoxy)ethylamino]-1-thiophen-2-ylethanol (PubChem CID 55012484) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[2-(3-methylphenoxy)ethylamino]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[2-(3-methylphenoxy)ethylamino]-1-thiophen-2-ylethanol
PubChem CID55012484
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name2-[2-(3-methylphenoxy)ethylamino]-1-thiophen-2-ylethanol
SMILESCc1cccc(OCCNCC(O)c2cccs2)c1
InChIInChI=1S/C15H19NO2S/c1-12-4-2-5-13(10-12)18-8-7-16-11-14(17)15-6-3-9-19-15/h2-6,9-10,14,16-17H,7-8,11H2,1H3
InChIKeyHVGHORCPLNJCEN-UHFFFAOYSA-N
XLogP2.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.76
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

1-[3-(3-methylphenoxy)propyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 36974850
N-(2,2-difluoroethyl)-3-(3-methylphenoxy)propan-1-amine
CID 115406974
3-acetamido-N-[3-(3-methylphenoxy)propyl]-3-thiophen-2-ylpropanamide
CID 46690393
N-[2-(3-methylphenoxy)ethyl]-2-(thiophene-2-carbonyl)benzamide
CID 9489216
2-[2-(2-methylprop-2-enoxy)ethylamino]-1-thiophen-2-ylethanol
CID 114467683
N-[2-(3-methylphenoxy)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8868659
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8864787
N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
CID 82121701
1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585686
2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 9051743
2-(3,3-dimethylbutylamino)-1-thiophen-2-ylethanol
CID 115581040
N-[2-(3-methylphenoxy)ethyl]heptan-1-amine
CID 54797484

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenoxy)ethylamino]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[2-(3-methylphenoxy)ethylamino]-1-thiophen-2-ylethanol (CID 55012484) is 2-[2-(3-methylphenoxy)ethylamino]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[2-(3-methylphenoxy)ethylamino]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[2-(3-methylphenoxy)ethylamino]-1-thiophen-2-ylethanol is Cc1cccc(OCCNCC(O)c2cccs2)c1.
What is the InChIKey of 2-[2-(3-methylphenoxy)ethylamino]-1-thiophen-2-ylethanol?
The InChIKey is HVGHORCPLNJCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-12-4-2-5-13(10-12)18-8-7-16-11-14(17)15-6-3-9-19-15/h2-6,9-10,14,16-17H,7-8,11H2,1H3.
What are the key properties of 2-[2-(3-methylphenoxy)ethylamino]-1-thiophen-2-ylethanol?
2-[2-(3-methylphenoxy)ethylamino]-1-thiophen-2-ylethanol has a molecular weight of 277.39 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenoxy)ethylamino]-1-thiophen-2-ylethanol is sourced from PubChem (CID 55012484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).