[1-(dimethylamino)-3-methylcyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanol

C18H28FNO — CID 106881112

IUPAC[1-(dimethylamino)-3-methylcyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)C2(N(C)C)CCCC(C)C2)c(F)c1
InChIInChI=1S/C18H28FNO/c1-12-7-6-8-18(11-12,20(4)5)17(21)16-14(3)9-13(2)10-15(16)19/h9-10,12,17,21H,6-8,11H2,1-5H3
InChIKeyCTXOPQFRWASBLH-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.99
Rot. Bonds3

About [1-(dimethylamino)-3-methylcyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanol

[1-(dimethylamino)-3-methylcyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanol (PubChem CID 106881112) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is [1-(dimethylamino)-3-methylcyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name[1-(dimethylamino)-3-methylcyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanol
PubChem CID106881112
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name[1-(dimethylamino)-3-methylcyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)C2(N(C)C)CCCC(C)C2)c(F)c1
InChIInChI=1S/C18H28FNO/c1-12-7-6-8-18(11-12,20(4)5)17(21)16-14(3)9-13(2)10-15(16)19/h9-10,12,17,21H,6-8,11H2,1-5H3
InChIKeyCTXOPQFRWASBLH-UHFFFAOYSA-N
XLogP3.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(dimethylamino)-3-methylcyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-3-methylcyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanol?
The IUPAC name of [1-(dimethylamino)-3-methylcyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanol (CID 106881112) is [1-(dimethylamino)-3-methylcyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanol.
What is the SMILES notation for [1-(dimethylamino)-3-methylcyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanol?
The canonical SMILES for [1-(dimethylamino)-3-methylcyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanol is Cc1cc(C)c(C(O)C2(N(C)C)CCCC(C)C2)c(F)c1.
What is the InChIKey of [1-(dimethylamino)-3-methylcyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanol?
The InChIKey is CTXOPQFRWASBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-12-7-6-8-18(11-12,20(4)5)17(21)16-14(3)9-13(2)10-15(16)19/h9-10,12,17,21H,6-8,11H2,1-5H3.
What are the key properties of [1-(dimethylamino)-3-methylcyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanol?
[1-(dimethylamino)-3-methylcyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanol has a molecular weight of 293.43 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-3-methylcyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanol is sourced from PubChem (CID 106881112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).