3-[2-fluoroethyl(2-methoxyethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C16H32FNO2 — CID 165497590

IUPAC3-[2-fluoroethyl(2-methoxyethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)CC1N(CCF)CCOC
InChIInChI=1S/C16H32FNO2/c1-5-16(2,3)14-7-6-13(19)12-15(14)18(9-8-17)10-11-20-4/h13-15,19H,5-12H2,1-4H3
InChIKeyDVOHODGHPCYQSS-UHFFFAOYSA-N
MW289.44 g/mol
LogP2.87
Rot. Bonds8

About 3-[2-fluoroethyl(2-methoxyethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

3-[2-fluoroethyl(2-methoxyethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 165497590) has the molecular formula C16H32FNO2 and a molecular weight of 289.44 g/mol. Its IUPAC name is 3-[2-fluoroethyl(2-methoxyethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-[2-fluoroethyl(2-methoxyethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID165497590
Molecular FormulaC16H32FNO2
Molecular Weight289.44 g/mol
Exact Mass289.24
IUPAC Name3-[2-fluoroethyl(2-methoxyethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)CC1N(CCF)CCOC
InChIInChI=1S/C16H32FNO2/c1-5-16(2,3)14-7-6-13(19)12-15(14)18(9-8-17)10-11-20-4/h13-15,19H,5-12H2,1-4H3
InChIKeyDVOHODGHPCYQSS-UHFFFAOYSA-N
XLogP2.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-Methoxyethyl)(propan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490684
3-[(3-Fluoropropyl)(methyl)amino]-4-(propan-2-yl)cyclohexan-1-ol
CID 165490887
3-[Methyl(2,2,2-trifluoroethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165491558
3-[Cyclopropyl(2,2-difluoroethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165491565
3-[(2,2-Difluoroethyl)(propyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165491566
3-(4-Fluoropiperidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165491569
3-[(2,2-Difluoropropyl)(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165491570
4-Tert-butyl-3-[(2,2-difluoroethyl)(methyl)amino]cyclohexan-1-ol
CID 165491978
4-Tert-butyl-3-[(2,2-difluoroethyl)(propan-2-yl)amino]cyclohexan-1-ol
CID 165491992
4-Tert-butyl-3-(4-fluoropiperidin-1-yl)cyclohexan-1-ol
CID 165491995
4-Tert-butyl-3-[(2,2-difluoropropyl)(methyl)amino]cyclohexan-1-ol
CID 165491996
3-[(2-Methoxyethyl)(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496233

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoroethyl(2-methoxyethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 3-[2-fluoroethyl(2-methoxyethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 165497590) is 3-[2-fluoroethyl(2-methoxyethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-[2-fluoroethyl(2-methoxyethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 3-[2-fluoroethyl(2-methoxyethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)CC1N(CCF)CCOC.
What is the InChIKey of 3-[2-fluoroethyl(2-methoxyethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is DVOHODGHPCYQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32FNO2/c1-5-16(2,3)14-7-6-13(19)12-15(14)18(9-8-17)10-11-20-4/h13-15,19H,5-12H2,1-4H3.
What are the key properties of 3-[2-fluoroethyl(2-methoxyethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
3-[2-fluoroethyl(2-methoxyethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 289.44 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoroethyl(2-methoxyethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 165497590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).