[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methanol

C16H24FNO — CID 24740060

IUPAC[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methanol
SMILESCN(C)C(c1cccc(F)c1)C1CCC(CO)CC1
InChIInChI=1S/C16H24FNO/c1-18(2)16(14-4-3-5-15(17)10-14)13-8-6-12(11-19)7-9-13/h3-5,10,12-13,16,19H,6-9,11H2,1-2H3
InChIKeyLPWRZKXWUBFCLX-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.23
Rot. Bonds4

About [4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methanol

[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methanol (PubChem CID 24740060) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is [4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methanol
PubChem CID24740060
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methanol
SMILESCN(C)C(c1cccc(F)c1)C1CCC(CO)CC1
InChIInChI=1S/C16H24FNO/c1-18(2)16(14-4-3-5-15(17)10-14)13-8-6-12(11-19)7-9-13/h3-5,10,12-13,16,19H,6-9,11H2,1-2H3
InChIKeyLPWRZKXWUBFCLX-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methanol?
The IUPAC name of [4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methanol (CID 24740060) is [4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methanol.
What is the SMILES notation for [4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methanol?
The canonical SMILES for [4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methanol is CN(C)C(c1cccc(F)c1)C1CCC(CO)CC1.
What is the InChIKey of [4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methanol?
The InChIKey is LPWRZKXWUBFCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-18(2)16(14-4-3-5-15(17)10-14)13-8-6-12(11-19)7-9-13/h3-5,10,12-13,16,19H,6-9,11H2,1-2H3.
What are the key properties of [4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methanol?
[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methanol has a molecular weight of 265.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methanol is sourced from PubChem (CID 24740060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).