2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol

C16H23F2NO — CID 82920040

IUPAC2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
SMILESCN(C)C1(C(O)Cc2ccc(F)c(F)c2)CCCCC1
InChIInChI=1S/C16H23F2NO/c1-19(2)16(8-4-3-5-9-16)15(20)11-12-6-7-13(17)14(18)10-12/h6-7,10,15,20H,3-5,8-9,11H2,1-2H3
InChIKeyKIERCAMFHLNYEY-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.13
Rot. Bonds4

About 2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol

2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol (PubChem CID 82920040) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
PubChem CID82920040
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
SMILESCN(C)C1(C(O)Cc2ccc(F)c(F)c2)CCCCC1
InChIInChI=1S/C16H23F2NO/c1-19(2)16(8-4-3-5-9-16)15(20)11-12-6-7-13(17)14(18)10-12/h6-7,10,15,20H,3-5,8-9,11H2,1-2H3
InChIKeyKIERCAMFHLNYEY-UHFFFAOYSA-N
XLogP3.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066042
2-(3,4-dichlorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066196
1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol
CID 79066048
2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 116755817
1-[1-(dimethylamino)cyclopentyl]-2-phenylethanol
CID 79067226
2-(2-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066492
1-[2-(4-chloro-3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine
CID 107895172
1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 107884906
2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755577
1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol
CID 79074275
1-[amino-(3,4-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066664
1-[2-(3-bromo-4-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103451976

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
The IUPAC name of 2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol (CID 82920040) is 2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol is CN(C)C1(C(O)Cc2ccc(F)c(F)c2)CCCCC1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
The InChIKey is KIERCAMFHLNYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-19(2)16(8-4-3-5-9-16)15(20)11-12-6-7-13(17)14(18)10-12/h6-7,10,15,20H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol has a molecular weight of 283.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol is sourced from PubChem (CID 82920040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).