(R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol

C13H15NOS — CID 686964

IUPAC(R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol
SMILESCN(C)c1ccc([C@@H](O)c2cccs2)cc1
InChIInChI=1S/C13H15NOS/c1-14(2)11-7-5-10(6-8-11)13(15)12-4-3-9-16-12/h3-9,13,15H,1-2H3/t13-/m1/s1
InChIKeyIHKZCVPNQIENBH-CYBMUJFWSA-N
MW233.34 g/mol
LogP2.90
Rot. Bonds3

About (R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol

(R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol (PubChem CID 686964) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is (R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol
PubChem CID686964
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name(R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol
SMILESCN(C)c1ccc([C@@H](O)c2cccs2)cc1
InChIInChI=1S/C13H15NOS/c1-14(2)11-7-5-10(6-8-11)13(15)12-4-3-9-16-12/h3-9,13,15H,1-2H3/t13-/m1/s1
InChIKeyIHKZCVPNQIENBH-CYBMUJFWSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-ethylphenyl)-thiophen-2-ylmethanol
CID 61104575
4-[hydrazinyl(thiophen-2-yl)methyl]-N,N-dimethylaniline
CID 105287491
(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxy-1-thiophen-2-ylethanone
CID 672167
1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol
CID 81141860
N,N-dimethyl-4-[piperazin-1-yl(thiophen-2-yl)methyl]aniline
CID 4988870
[4-(2-methoxyethyl)phenyl]-thiophen-2-ylmethanol
CID 55133973
(3,4-diethylphenyl)-thiophen-2-ylmethanol
CID 115482624
(4-cyclobutylphenyl)-thiophen-2-ylmethanol
CID 116505278
thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63893402
4-(dimethylamino)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 71804637
(2-methylquinolin-6-yl)-thiophen-2-ylmethanol
CID 81215895
(2,6-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol
CID 116809671

Frequently Asked Questions

What is the IUPAC name of (R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol?
The IUPAC name of (R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol (CID 686964) is (R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol.
What is the SMILES notation for (R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol?
The canonical SMILES for (R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol is CN(C)c1ccc([C@@H](O)c2cccs2)cc1.
What is the InChIKey of (R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol?
The InChIKey is IHKZCVPNQIENBH-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15NOS/c1-14(2)11-7-5-10(6-8-11)13(15)12-4-3-9-16-12/h3-9,13,15H,1-2H3/t13-/m1/s1.
What are the key properties of (R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol?
(R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol has a molecular weight of 233.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol is sourced from PubChem (CID 686964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).