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

C11H22FNO — CID 165491759

IUPAC3-[3-fluoropropyl(methyl)amino]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)CC1N(C)CCCF
InChIInChI=1S/C11H22FNO/c1-9-4-5-10(14)8-11(9)13(2)7-3-6-12/h9-11,14H,3-8H2,1-2H3
InChIKeyPLBLFOYJHLBROX-UHFFFAOYSA-N
MW203.30 g/mol
LogP1.83
Rot. Bonds4

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

3-[3-fluoropropyl(methyl)amino]-4-methylcyclohexan-1-ol (PubChem CID 165491759) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 3-[3-fluoropropyl(methyl)amino]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[3-fluoropropyl(methyl)amino]-4-methylcyclohexan-1-ol
PubChem CID165491759
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name3-[3-fluoropropyl(methyl)amino]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)CC1N(C)CCCF
InChIInChI=1S/C11H22FNO/c1-9-4-5-10(14)8-11(9)13(2)7-3-6-12/h9-11,14H,3-8H2,1-2H3
InChIKeyPLBLFOYJHLBROX-UHFFFAOYSA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aS,6S,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-ol
CID 118709201
[4-[3-Fluoropropyl(methyl)amino]cyclohexyl]methanol
CID 91659920
3-[Tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490683
3-[(2-Methoxyethyl)(propan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490684
3-[(2-Ethoxyethyl)(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490685
3-[Cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490687
3-[Cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490688
3-[Methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490689
3-(4-Methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490690
3-[Cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490691
3-[Methyl(2-methylbutan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490692
3-[(Propan-2-yl)(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490693

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoropropyl(methyl)amino]-4-methylcyclohexan-1-ol?
The IUPAC name of 3-[3-fluoropropyl(methyl)amino]-4-methylcyclohexan-1-ol (CID 165491759) is 3-[3-fluoropropyl(methyl)amino]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 3-[3-fluoropropyl(methyl)amino]-4-methylcyclohexan-1-ol?
The canonical SMILES for 3-[3-fluoropropyl(methyl)amino]-4-methylcyclohexan-1-ol is CC1CCC(O)CC1N(C)CCCF.
What is the InChIKey of 3-[3-fluoropropyl(methyl)amino]-4-methylcyclohexan-1-ol?
The InChIKey is PLBLFOYJHLBROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-9-4-5-10(14)8-11(9)13(2)7-3-6-12/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 3-[3-fluoropropyl(methyl)amino]-4-methylcyclohexan-1-ol?
3-[3-fluoropropyl(methyl)amino]-4-methylcyclohexan-1-ol has a molecular weight of 203.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoropropyl(methyl)amino]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 165491759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).