[1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol

C17H26FNO2 — CID 82771557

IUPAC[1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol
SMILESCOc1ccc(F)cc1C(O)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C17H26FNO2/c1-12-7-9-17(10-8-12,19(2)3)16(20)14-11-13(18)5-6-15(14)21-4/h5-6,11-12,16,20H,7-10H2,1-4H3
InChIKeyLQLOWGPVXIJZJK-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.38
Rot. Bonds4

About [1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol

[1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol (PubChem CID 82771557) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is [1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol.

Molecular Properties

Compound Name[1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol
PubChem CID82771557
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name[1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol
SMILESCOc1ccc(F)cc1C(O)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C17H26FNO2/c1-12-7-9-17(10-8-12,19(2)3)16(20)14-11-13(18)5-6-15(14)21-4/h5-6,11-12,16,20H,7-10H2,1-4H3
InChIKeyLQLOWGPVXIJZJK-UHFFFAOYSA-N
XLogP3.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452335
[1-(dimethylamino)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol
CID 82769611
(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122331
(5-fluoro-2-methoxyphenyl)-(1-phenylcyclopropyl)methanol
CID 62881250
(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)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol
CID 79063099
(5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 82769188
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442
1-(5-fluoro-2-methoxyphenyl)-N,N-dimethyl-1-piperidin-4-ylmethanamine
CID 82304521
(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol
CID 82769769

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol?
The IUPAC name of [1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol (CID 82771557) is [1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol.
What is the SMILES notation for [1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol?
The canonical SMILES for [1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol is COc1ccc(F)cc1C(O)C1(N(C)C)CCC(C)CC1.
What is the InChIKey of [1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol?
The InChIKey is LQLOWGPVXIJZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-12-7-9-17(10-8-12,19(2)3)16(20)14-11-13(18)5-6-15(14)21-4/h5-6,11-12,16,20H,7-10H2,1-4H3.
What are the key properties of [1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol?
[1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol has a molecular weight of 295.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol is sourced from PubChem (CID 82771557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).