1-[4-(dimethylamino)phenyl]-2-thiophen-3-ylethanol

C14H17NOS — CID 65151020

IUPAC1-[4-(dimethylamino)phenyl]-2-thiophen-3-ylethanol
SMILESCN(C)c1ccc(C(O)Cc2ccsc2)cc1
InChIInChI=1S/C14H17NOS/c1-15(2)13-5-3-12(4-6-13)14(16)9-11-7-8-17-10-11/h3-8,10,14,16H,9H2,1-2H3
InChIKeyPFGBMPDKPXXYFA-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.09
Rot. Bonds4

About 1-[4-(dimethylamino)phenyl]-2-thiophen-3-ylethanol

1-[4-(dimethylamino)phenyl]-2-thiophen-3-ylethanol (PubChem CID 65151020) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-2-thiophen-3-ylethanol
PubChem CID65151020
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name1-[4-(dimethylamino)phenyl]-2-thiophen-3-ylethanol
SMILESCN(C)c1ccc(C(O)Cc2ccsc2)cc1
InChIInChI=1S/C14H17NOS/c1-15(2)13-5-3-12(4-6-13)14(16)9-11-7-8-17-10-11/h3-8,10,14,16H,9H2,1-2H3
InChIKeyPFGBMPDKPXXYFA-UHFFFAOYSA-N
XLogP3.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline
CID 105137654
N,N-dimethyl-4-[1-(2-thiophen-3-ylethylamino)ethyl]aniline
CID 61474895
1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol
CID 79087960
1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethanol
CID 55151381
1-(4-bromo-3-methylphenyl)-2-thiophen-3-ylethanol
CID 81446687
1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanol
CID 114822893
2-(dimethylamino)-1-[4-(dimethylamino)phenyl]ethanol
CID 24975028
4-methyl-1-thiophen-3-ylpentane-2,3-diol
CID 103456677
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophen-3-ylethanol
CID 65149672
1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol
CID 63094329

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-2-thiophen-3-ylethanol?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-2-thiophen-3-ylethanol (CID 65151020) is 1-[4-(dimethylamino)phenyl]-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-2-thiophen-3-ylethanol?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-2-thiophen-3-ylethanol is CN(C)c1ccc(C(O)Cc2ccsc2)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-2-thiophen-3-ylethanol?
The InChIKey is PFGBMPDKPXXYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-15(2)13-5-3-12(4-6-13)14(16)9-11-7-8-17-10-11/h3-8,10,14,16H,9H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-2-thiophen-3-ylethanol?
1-[4-(dimethylamino)phenyl]-2-thiophen-3-ylethanol has a molecular weight of 247.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-2-thiophen-3-ylethanol is sourced from PubChem (CID 65151020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).