4-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol

C12H25NO3 — CID 106133196

IUPAC4-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
SMILESCCOCC(O)CNCC1CCC(O)CC1
InChIInChI=1S/C12H25NO3/c1-2-16-9-12(15)8-13-7-10-3-5-11(14)6-4-10/h10-15H,2-9H2,1H3
InChIKeyKXFGVDSNPJVTBV-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.52
Rot. Bonds7

About 4-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol

4-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol (PubChem CID 106133196) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
PubChem CID106133196
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name4-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
SMILESCCOCC(O)CNCC1CCC(O)CC1
InChIInChI=1S/C12H25NO3/c1-2-16-9-12(15)8-13-7-10-3-5-11(14)6-4-10/h10-15H,2-9H2,1H3
InChIKeyKXFGVDSNPJVTBV-UHFFFAOYSA-N
XLogP0.52
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632509
1-(4-Methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 60729481
1-(4-Methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226621
1,1,1-Trifluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-2-ol
CID 105644839
1,1-Difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-2-ol
CID 105645263
1-[2-(2,2-Difluoroethoxy)ethylamino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 105910376
4-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol
CID 106133610
2,2-Difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol
CID 106176234
1-(4-Methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
CID 106291617
1-(2,2-Difluoroethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 113303747
4-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
CID 114147797
1-(4-Methylcyclohexyl)oxy-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 115518254

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol (CID 106133196) is 4-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol is CCOCC(O)CNCC1CCC(O)CC1.
What is the InChIKey of 4-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is KXFGVDSNPJVTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-2-16-9-12(15)8-13-7-10-3-5-11(14)6-4-10/h10-15H,2-9H2,1H3.
What are the key properties of 4-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
4-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106133196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).