2-[1-(4-ethylphenyl)propylamino]-1-thiophen-3-ylethanol

C17H23NOS — CID 103785307

IUPAC2-[1-(4-ethylphenyl)propylamino]-1-thiophen-3-ylethanol
SMILESCCc1ccc(C(CC)NCC(O)c2ccsc2)cc1
InChIInChI=1S/C17H23NOS/c1-3-13-5-7-14(8-6-13)16(4-2)18-11-17(19)15-9-10-20-12-15/h5-10,12,16-19H,3-4,11H2,1-2H3
InChIKeyCJYJCLHCXHOYIT-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.08
Rot. Bonds7

About 2-[1-(4-ethylphenyl)propylamino]-1-thiophen-3-ylethanol

2-[1-(4-ethylphenyl)propylamino]-1-thiophen-3-ylethanol (PubChem CID 103785307) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-[1-(4-ethylphenyl)propylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[1-(4-ethylphenyl)propylamino]-1-thiophen-3-ylethanol
PubChem CID103785307
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name2-[1-(4-ethylphenyl)propylamino]-1-thiophen-3-ylethanol
SMILESCCc1ccc(C(CC)NCC(O)c2ccsc2)cc1
InChIInChI=1S/C17H23NOS/c1-3-13-5-7-14(8-6-13)16(4-2)18-11-17(19)15-9-10-20-12-15/h5-10,12,16-19H,3-4,11H2,1-2H3
InChIKeyCJYJCLHCXHOYIT-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

Analyze 2-[1-(4-ethylphenyl)propylamino]-1-thiophen-3-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(3,4-dichlorophenyl)propylamino]-1-thiophen-3-ylethanol
CID 103785268
4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496459
2-[1-(4-propylphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103785297
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol
CID 103785241
2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-thiophen-3-ylethanol
CID 103948424
4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol
CID 43499212
1-thiophen-3-yl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanol
CID 106434786
4-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]butyl]phenol
CID 104861996
4-[1-[(4-ethylphenyl)methylamino]propyl]phenol
CID 106899400
2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103717092
(S)-(4-ethylphenyl)-thiophen-3-ylmethanamine
CID 171211233
2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103717090

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylphenyl)propylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[1-(4-ethylphenyl)propylamino]-1-thiophen-3-ylethanol (CID 103785307) is 2-[1-(4-ethylphenyl)propylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[1-(4-ethylphenyl)propylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[1-(4-ethylphenyl)propylamino]-1-thiophen-3-ylethanol is CCc1ccc(C(CC)NCC(O)c2ccsc2)cc1.
What is the InChIKey of 2-[1-(4-ethylphenyl)propylamino]-1-thiophen-3-ylethanol?
The InChIKey is CJYJCLHCXHOYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-3-13-5-7-14(8-6-13)16(4-2)18-11-17(19)15-9-10-20-12-15/h5-10,12,16-19H,3-4,11H2,1-2H3.
What are the key properties of 2-[1-(4-ethylphenyl)propylamino]-1-thiophen-3-ylethanol?
2-[1-(4-ethylphenyl)propylamino]-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-ethylphenyl)propylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 103785307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).