3-[3-fluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol

C13H26FNO — CID 165490887

IUPAC3-[3-fluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1N(C)CCCF
InChIInChI=1S/C13H26FNO/c1-10(2)12-6-5-11(16)9-13(12)15(3)8-4-7-14/h10-13,16H,4-9H2,1-3H3
InChIKeyJKZWHGQFSQEQJR-UHFFFAOYSA-N
MW231.35 g/mol
LogP2.46
Rot. Bonds5

About 3-[3-fluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol

3-[3-fluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 165490887) has the molecular formula C13H26FNO and a molecular weight of 231.35 g/mol. Its IUPAC name is 3-[3-fluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[3-fluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
PubChem CID165490887
Molecular FormulaC13H26FNO
Molecular Weight231.35 g/mol
Exact Mass231.20
IUPAC Name3-[3-fluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1N(C)CCCF
InChIInChI=1S/C13H26FNO/c1-10(2)12-6-5-11(16)9-13(12)15(3)8-4-7-14/h10-13,16H,4-9H2,1-3H3
InChIKeyJKZWHGQFSQEQJR-UHFFFAOYSA-N
XLogP2.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Propan-2-yl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62703991
3-[Tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490683
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
3-[(3-Methoxypropyl)(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490694
3-[Cyclopropyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490697
3-[Tert-butyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490700

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 3-[3-fluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol (CID 165490887) is 3-[3-fluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 3-[3-fluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 3-[3-fluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)CC1N(C)CCCF.
What is the InChIKey of 3-[3-fluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is JKZWHGQFSQEQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FNO/c1-10(2)12-6-5-11(16)9-13(12)15(3)8-4-7-14/h10-13,16H,4-9H2,1-3H3.
What are the key properties of 3-[3-fluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
3-[3-fluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 231.35 g/mol, XLogP of 2.46, 5 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-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 165490887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).