1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol

C17H27NO — CID 79066048

IUPAC1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol
SMILESCc1ccc(CC(O)C2(N(C)C)CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-14-7-9-15(10-8-14)13-16(19)17(18(2)3)11-5-4-6-12-17/h7-10,16,19H,4-6,11-13H2,1-3H3
InChIKeyWIXNINKGNREESG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.16
Rot. Bonds4

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

1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol (PubChem CID 79066048) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol
PubChem CID79066048
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol
SMILESCc1ccc(CC(O)C2(N(C)C)CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-14-7-9-15(10-8-14)13-16(19)17(18(2)3)11-5-4-6-12-17/h7-10,16,19H,4-6,11-13H2,1-3H3
InChIKeyWIXNINKGNREESG-UHFFFAOYSA-N
XLogP3.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(diethylamino)cyclopentyl]-2-(4-methylphenyl)ethanol
CID 79070717
1-[1-(dimethylamino)cyclopentyl]-2-phenylethanol
CID 79067226
2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 82920040
2-(3,4-dichlorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066196
1-[1-hydrazinyl-2-(4-methylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243879
N,N-dimethyl-1-[1-(methylamino)-2-(4-methylphenyl)ethyl]cyclopentan-1-amine
CID 79070291
1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol
CID 79074275
2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066042
[1-(dimethylamino)cycloheptyl]-(4-methylphenyl)methanol
CID 79075014
1-[1-(diethylamino)cyclopentyl]-2-(4-ethylphenyl)ethanol
CID 79058910
2-(4-methylphenyl)-1-(1-phenylcyclopentyl)ethanol
CID 63414353
1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065926

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol?
The IUPAC name of 1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol (CID 79066048) is 1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol.
What is the SMILES notation for 1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol?
The canonical SMILES for 1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol is Cc1ccc(CC(O)C2(N(C)C)CCCCC2)cc1.
What is the InChIKey of 1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol?
The InChIKey is WIXNINKGNREESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14-7-9-15(10-8-14)13-16(19)17(18(2)3)11-5-4-6-12-17/h7-10,16,19H,4-6,11-13H2,1-3H3.
What are the key properties of 1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol?
1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol has a molecular weight of 261.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol is sourced from PubChem (CID 79066048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).