2-[1-(4-propylphenyl)ethylamino]-1-thiophen-3-ylethanol

C17H23NOS — CID 103785297

IUPAC2-[1-(4-propylphenyl)ethylamino]-1-thiophen-3-ylethanol
SMILESCCCc1ccc(C(C)NCC(O)c2ccsc2)cc1
InChIInChI=1S/C17H23NOS/c1-3-4-14-5-7-15(8-6-14)13(2)18-11-17(19)16-9-10-20-12-16/h5-10,12-13,17-19H,3-4,11H2,1-2H3
InChIKeyHLOZVIDLWRZQCT-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.08
Rot. Bonds7

About 2-[1-(4-propylphenyl)ethylamino]-1-thiophen-3-ylethanol

2-[1-(4-propylphenyl)ethylamino]-1-thiophen-3-ylethanol (PubChem CID 103785297) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-[1-(4-propylphenyl)ethylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[1-(4-propylphenyl)ethylamino]-1-thiophen-3-ylethanol
PubChem CID103785297
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name2-[1-(4-propylphenyl)ethylamino]-1-thiophen-3-ylethanol
SMILESCCCc1ccc(C(C)NCC(O)c2ccsc2)cc1
InChIInChI=1S/C17H23NOS/c1-3-4-14-5-7-15(8-6-14)13(2)18-11-17(19)16-9-10-20-12-16/h5-10,12-13,17-19H,3-4,11H2,1-2H3
InChIKeyHLOZVIDLWRZQCT-UHFFFAOYSA-N
XLogP4.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol
CID 103785241
2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103717092
1-(4-propylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine
CID 55122255
(2R)-1-[1-(4-propylphenyl)ethylamino]propan-2-ol
CID 103906705
4-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]butyl]phenol
CID 104861996
2-[1-(4-ethylphenyl)propylamino]-1-thiophen-3-ylethanol
CID 103785307
2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103717090
2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103881398
1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol
CID 103785265
2-(methylamino)-1-(4-propylphenyl)ethanol
CID 64988870
(1S)-2-[[(1R)-1-(4-methyl-3-nitrophenyl)ethyl]amino]-1-thiophen-3-ylethanol
CID 97232542
N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide
CID 121132084

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-propylphenyl)ethylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[1-(4-propylphenyl)ethylamino]-1-thiophen-3-ylethanol (CID 103785297) is 2-[1-(4-propylphenyl)ethylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[1-(4-propylphenyl)ethylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[1-(4-propylphenyl)ethylamino]-1-thiophen-3-ylethanol is CCCc1ccc(C(C)NCC(O)c2ccsc2)cc1.
What is the InChIKey of 2-[1-(4-propylphenyl)ethylamino]-1-thiophen-3-ylethanol?
The InChIKey is HLOZVIDLWRZQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-3-4-14-5-7-15(8-6-14)13(2)18-11-17(19)16-9-10-20-12-16/h5-10,12-13,17-19H,3-4,11H2,1-2H3.
What are the key properties of 2-[1-(4-propylphenyl)ethylamino]-1-thiophen-3-ylethanol?
2-[1-(4-propylphenyl)ethylamino]-1-thiophen-3-ylethanol has a molecular weight of 289.44 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-propylphenyl)ethylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 103785297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).