1-[2-(dimethylamino)-1-(3-fluorophenyl)ethyl]cyclohexan-1-ol

C16H24FNO — CID 135070752

IUPAC1-[2-(dimethylamino)-1-(3-fluorophenyl)ethyl]cyclohexan-1-ol
SMILESCN(C)CC(c1cccc(F)c1)C1(O)CCCCC1
InChIInChI=1S/C16H24FNO/c1-18(2)12-15(13-7-6-8-14(17)11-13)16(19)9-4-3-5-10-16/h6-8,11,15,19H,3-5,9-10,12H2,1-2H3
InChIKeyGNXWEMQSXQJRAM-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.17
Rot. Bonds4

About 1-[2-(dimethylamino)-1-(3-fluorophenyl)ethyl]cyclohexan-1-ol

1-[2-(dimethylamino)-1-(3-fluorophenyl)ethyl]cyclohexan-1-ol (PubChem CID 135070752) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-1-(3-fluorophenyl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)-1-(3-fluorophenyl)ethyl]cyclohexan-1-ol
PubChem CID135070752
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-[2-(dimethylamino)-1-(3-fluorophenyl)ethyl]cyclohexan-1-ol
SMILESCN(C)CC(c1cccc(F)c1)C1(O)CCCCC1
InChIInChI=1S/C16H24FNO/c1-18(2)12-15(13-7-6-8-14(17)11-13)16(19)9-4-3-5-10-16/h6-8,11,15,19H,3-5,9-10,12H2,1-2H3
InChIKeyGNXWEMQSXQJRAM-UHFFFAOYSA-N
XLogP3.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5572
Procyclidine
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Procyclidine hydrochloride
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Tridihexethyl
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Tridihexethyl Chloride
CID 20298
(R)-Procyclidine
CID 207838
Pyrrolidinium, 1-(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-1-methyl-, chloride (1:1)
CID 72169
Piperidinium, 1-(3-hydroxy-5-methyl-4-phenylhexyl)-1-methyl-, bromide (1:1)
CID 10619
Benzeneethanol, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-
CID 4945
alpha-Cyclohexyl-alpha-(2-(diethylamino)ethyl)benzenemethanol
CID 114547
Tridihexethyl Iodide
CID 31334
Benzhydrol, alpha-(2-(dimethylamino)ethyl)-, hydrochloride
CID 201597

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-1-(3-fluorophenyl)ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-(dimethylamino)-1-(3-fluorophenyl)ethyl]cyclohexan-1-ol (CID 135070752) is 1-[2-(dimethylamino)-1-(3-fluorophenyl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(dimethylamino)-1-(3-fluorophenyl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-(dimethylamino)-1-(3-fluorophenyl)ethyl]cyclohexan-1-ol is CN(C)CC(c1cccc(F)c1)C1(O)CCCCC1.
What is the InChIKey of 1-[2-(dimethylamino)-1-(3-fluorophenyl)ethyl]cyclohexan-1-ol?
The InChIKey is GNXWEMQSXQJRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-18(2)12-15(13-7-6-8-14(17)11-13)16(19)9-4-3-5-10-16/h6-8,11,15,19H,3-5,9-10,12H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)-1-(3-fluorophenyl)ethyl]cyclohexan-1-ol?
1-[2-(dimethylamino)-1-(3-fluorophenyl)ethyl]cyclohexan-1-ol has a molecular weight of 265.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-1-(3-fluorophenyl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 135070752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).