2-(2-chloro-4-methylphenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol

C18H28ClNO — CID 106867449

IUPAC2-(2-chloro-4-methylphenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol
SMILESCc1ccc(CC(O)C2(N(C)C)CCC(C)CC2)c(Cl)c1
InChIInChI=1S/C18H28ClNO/c1-13-7-9-18(10-8-13,20(3)4)17(21)12-15-6-5-14(2)11-16(15)19/h5-6,11,13,17,21H,7-10,12H2,1-4H3
InChIKeyKGYSOSHNHGTGHQ-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.06
Rot. Bonds4

About 2-(2-chloro-4-methylphenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol

2-(2-chloro-4-methylphenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol (PubChem CID 106867449) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol
PubChem CID106867449
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name2-(2-chloro-4-methylphenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol
SMILESCc1ccc(CC(O)C2(N(C)C)CCC(C)CC2)c(Cl)c1
InChIInChI=1S/C18H28ClNO/c1-13-7-9-18(10-8-13,20(3)4)17(21)12-15-6-5-14(2)11-16(15)19/h5-6,11,13,17,21H,7-10,12H2,1-4H3
InChIKeyKGYSOSHNHGTGHQ-UHFFFAOYSA-N
XLogP4.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol
CID 102857419
2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine
CID 106866447
2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine
CID 106866830
1-[2-(2-chloro-4-methylphenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 106867637
2-(2-chloro-4-methylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 106867603
2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine
CID 106867704
2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine
CID 106866254
2-(2-chloro-4-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
CID 106866952
1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol
CID 106866029
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethanol
CID 106866180

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol (CID 106867449) is 2-(2-chloro-4-methylphenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol is Cc1ccc(CC(O)C2(N(C)C)CCC(C)CC2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol?
The InChIKey is KGYSOSHNHGTGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-13-7-9-18(10-8-13,20(3)4)17(21)12-15-6-5-14(2)11-16(15)19/h5-6,11,13,17,21H,7-10,12H2,1-4H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol?
2-(2-chloro-4-methylphenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol has a molecular weight of 309.88 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol is sourced from PubChem (CID 106867449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).