2-(5-chlorothiophen-2-yl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol

C15H24ClNOS — CID 79074352

IUPAC2-(5-chlorothiophen-2-yl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol
SMILESCC1CCC(C(O)Cc2ccc(Cl)s2)(N(C)C)CC1
InChIInChI=1S/C15H24ClNOS/c1-11-6-8-15(9-7-11,17(2)3)13(18)10-12-4-5-14(16)19-12/h4-5,11,13,18H,6-10H2,1-3H3
InChIKeyJUMLFMVKXYEUAD-UHFFFAOYSA-N
MW301.88 g/mol
LogP3.82
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol

2-(5-chlorothiophen-2-yl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol (PubChem CID 79074352) has the molecular formula C15H24ClNOS and a molecular weight of 301.88 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol
PubChem CID79074352
Molecular FormulaC15H24ClNOS
Molecular Weight301.88 g/mol
Exact Mass301.13
IUPAC Name2-(5-chlorothiophen-2-yl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol
SMILESCC1CCC(C(O)Cc2ccc(Cl)s2)(N(C)C)CC1
InChIInChI=1S/C15H24ClNOS/c1-11-6-8-15(9-7-11,17(2)3)13(18)10-12-4-5-14(16)19-12/h4-5,11,13,18H,6-10H2,1-3H3
InChIKeyJUMLFMVKXYEUAD-UHFFFAOYSA-N
XLogP3.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.88
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol
CID 106867449
2-(3-chloro-2-fluorophenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol
CID 102857419
1-[1-amino-2-(5-chlorothiophen-2-yl)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074614
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
CID 55185869
1-[2-(5-chlorothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol
CID 103451627
1-[(5-chlorothiophen-2-yl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 65393039
1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol
CID 115346039
1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(oxan-4-yl)ethanol
CID 79081968
1-[2-(5-chlorothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070614
(3-chlorothiophen-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol
CID 107359569
2-(5-chlorothiophen-2-yl)-1-cyclopropylethanamine
CID 62602598
2-(5-chlorothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105135106

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol (CID 79074352) is 2-(5-chlorothiophen-2-yl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol is CC1CCC(C(O)Cc2ccc(Cl)s2)(N(C)C)CC1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol?
The InChIKey is JUMLFMVKXYEUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNOS/c1-11-6-8-15(9-7-11,17(2)3)13(18)10-12-4-5-14(16)19-12/h4-5,11,13,18H,6-10H2,1-3H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol?
2-(5-chlorothiophen-2-yl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol has a molecular weight of 301.88 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol is sourced from PubChem (CID 79074352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).