[1-(dimethylamino)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol

C16H24FNO2 — CID 82769611

IUPAC[1-(dimethylamino)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol
SMILESCOc1ccc(F)cc1C(O)C1(N(C)C)CCCCC1
InChIInChI=1S/C16H24FNO2/c1-18(2)16(9-5-4-6-10-16)15(19)13-11-12(17)7-8-14(13)20-3/h7-8,11,15,19H,4-6,9-10H2,1-3H3
InChIKeyRXJCLUKBYRKCBT-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.13
Rot. Bonds4

About [1-(dimethylamino)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol

[1-(dimethylamino)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol (PubChem CID 82769611) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is [1-(dimethylamino)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol.

Molecular Properties

Compound Name[1-(dimethylamino)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol
PubChem CID82769611
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name[1-(dimethylamino)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol
SMILESCOc1ccc(F)cc1C(O)C1(N(C)C)CCCCC1
InChIInChI=1S/C16H24FNO2/c1-18(2)16(9-5-4-6-10-16)15(19)13-11-12(17)7-8-14(13)20-3/h7-8,11,15,19H,4-6,9-10H2,1-3H3
InChIKeyRXJCLUKBYRKCBT-UHFFFAOYSA-N
XLogP3.13
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol
CID 82771557
[1-(dimethylamino)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol
CID 79063099
(2,5-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanol
CID 79067398
1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 82769632
[1-(dimethylamino)cyclohexyl]-(3-fluoro-4-methoxyphenyl)methanol
CID 79066938
(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanol
CID 79061364
(5-fluoro-2-methoxyphenyl)-(1-phenylcyclopropyl)methanol
CID 62881250
1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066502
1-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452335
[1-(dimethylamino)cyclopentyl]-(2-ethoxyphenyl)methanol
CID 79067542
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol
CID 82769769

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol?
The IUPAC name of [1-(dimethylamino)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol (CID 82769611) is [1-(dimethylamino)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol.
What is the SMILES notation for [1-(dimethylamino)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol?
The canonical SMILES for [1-(dimethylamino)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol is COc1ccc(F)cc1C(O)C1(N(C)C)CCCCC1.
What is the InChIKey of [1-(dimethylamino)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol?
The InChIKey is RXJCLUKBYRKCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-18(2)16(9-5-4-6-10-16)15(19)13-11-12(17)7-8-14(13)20-3/h7-8,11,15,19H,4-6,9-10H2,1-3H3.
What are the key properties of [1-(dimethylamino)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol?
[1-(dimethylamino)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol has a molecular weight of 281.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol is sourced from PubChem (CID 82769611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).