4-ethyl-3-[3-fluoropropyl(methyl)amino]cyclohexan-1-ol

C12H24FNO — CID 165498071

IUPAC4-ethyl-3-[3-fluoropropyl(methyl)amino]cyclohexan-1-ol
SMILESCCC1CCC(O)CC1N(C)CCCF
InChIInChI=1S/C12H24FNO/c1-3-10-5-6-11(15)9-12(10)14(2)8-4-7-13/h10-12,15H,3-9H2,1-2H3
InChIKeyIDTDKHUBTOIYEK-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.22
Rot. Bonds5

About 4-ethyl-3-[3-fluoropropyl(methyl)amino]cyclohexan-1-ol

4-ethyl-3-[3-fluoropropyl(methyl)amino]cyclohexan-1-ol (PubChem CID 165498071) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-ethyl-3-[3-fluoropropyl(methyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-3-[3-fluoropropyl(methyl)amino]cyclohexan-1-ol
PubChem CID165498071
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name4-ethyl-3-[3-fluoropropyl(methyl)amino]cyclohexan-1-ol
SMILESCCC1CCC(O)CC1N(C)CCCF
InChIInChI=1S/C12H24FNO/c1-3-10-5-6-11(15)9-12(10)14(2)8-4-7-13/h10-12,15H,3-9H2,1-2H3
InChIKeyIDTDKHUBTOIYEK-UHFFFAOYSA-N
XLogP2.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-3-[3-fluoropropyl(methyl)amino]cyclohexan-1-ol 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 4-ethyl-3-[3-fluoropropyl(methyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-3-[3-fluoropropyl(methyl)amino]cyclohexan-1-ol (CID 165498071) is 4-ethyl-3-[3-fluoropropyl(methyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-3-[3-fluoropropyl(methyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-3-[3-fluoropropyl(methyl)amino]cyclohexan-1-ol is CCC1CCC(O)CC1N(C)CCCF.
What is the InChIKey of 4-ethyl-3-[3-fluoropropyl(methyl)amino]cyclohexan-1-ol?
The InChIKey is IDTDKHUBTOIYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-3-10-5-6-11(15)9-12(10)14(2)8-4-7-13/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 4-ethyl-3-[3-fluoropropyl(methyl)amino]cyclohexan-1-ol?
4-ethyl-3-[3-fluoropropyl(methyl)amino]cyclohexan-1-ol has a molecular weight of 217.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[3-fluoropropyl(methyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 165498071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).