1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol

C17H23NOS — CID 103785265

IUPAC1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol
SMILESCc1cc(C)c(C(C)NCC(O)c2ccsc2)c(C)c1
InChIInChI=1S/C17H23NOS/c1-11-7-12(2)17(13(3)8-11)14(4)18-9-16(19)15-5-6-20-10-15/h5-8,10,14,16,18-19H,9H2,1-4H3
InChIKeyQBQKOZBWTZUAMF-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.06
Rot. Bonds5

About 1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol

1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol (PubChem CID 103785265) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol.

Molecular Properties

Compound Name1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol
PubChem CID103785265
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol
SMILESCc1cc(C)c(C(C)NCC(O)c2ccsc2)c(C)c1
InChIInChI=1S/C17H23NOS/c1-11-7-12(2)17(13(3)8-11)14(4)18-9-16(19)15-5-6-20-10-15/h5-8,10,14,16,18-19H,9H2,1-4H3
InChIKeyQBQKOZBWTZUAMF-UHFFFAOYSA-N
XLogP4.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol with MolForge

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 90496666
2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103717092
2-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 43097444
(1S)-2-[[(1R)-1-(4-methyl-3-nitrophenyl)ethyl]amino]-1-thiophen-3-ylethanol
CID 97232542
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol
CID 103785241
2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103717090
2-[1-(4-propylphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103785297
2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103881398
1-[1-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441038
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide
CID 114188547
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
1-(3,5-dimethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62839978

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol?
The IUPAC name of 1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol (CID 103785265) is 1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol.
What is the SMILES notation for 1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol?
The canonical SMILES for 1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol is Cc1cc(C)c(C(C)NCC(O)c2ccsc2)c(C)c1.
What is the InChIKey of 1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol?
The InChIKey is QBQKOZBWTZUAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-11-7-12(2)17(13(3)8-11)14(4)18-9-16(19)15-5-6-20-10-15/h5-8,10,14,16,18-19H,9H2,1-4H3.
What are the key properties of 1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol?
1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol has a molecular weight of 289.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol is sourced from PubChem (CID 103785265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).