1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol

C13H24F3NO2 — CID 63226621

IUPAC1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
SMILESCC1CCC(OCC(O)CNCCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO2/c1-10-2-4-12(5-3-10)19-9-11(18)8-17-7-6-13(14,15)16/h10-12,17-18H,2-9H2,1H3
InChIKeyJRLBBKCFVYDRKY-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.48
Rot. Bonds7

About 1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol

1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol (PubChem CID 63226621) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
PubChem CID63226621
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
SMILESCC1CCC(OCC(O)CNCCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO2/c1-10-2-4-12(5-3-10)19-9-11(18)8-17-7-6-13(14,15)16/h10-12,17-18H,2-9H2,1H3
InChIKeyJRLBBKCFVYDRKY-UHFFFAOYSA-N
XLogP2.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63964882
1-(2-methoxyethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60632831
1-(4-methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
CID 106291617
2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol
CID 106176234
3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938914
1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol
CID 107152434
1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62977053
1-(4-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045618
1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63711316
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
1-(4-methylcyclohexyl)oxy-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol
CID 79562330
1-(4-methylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61040454

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol?
The IUPAC name of 1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol (CID 63226621) is 1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol.
What is the SMILES notation for 1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol?
The canonical SMILES for 1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol is CC1CCC(OCC(O)CNCCC(F)(F)F)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol?
The InChIKey is JRLBBKCFVYDRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-10-2-4-12(5-3-10)19-9-11(18)8-17-7-6-13(14,15)16/h10-12,17-18H,2-9H2,1H3.
What are the key properties of 1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol?
1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol has a molecular weight of 283.33 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol is sourced from PubChem (CID 63226621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).