1-(2-methylcyclohexyl)oxy-3-(thiophen-2-ylmethylamino)propan-2-ol

C15H25NO2S — CID 60633182

IUPAC1-(2-methylcyclohexyl)oxy-3-(thiophen-2-ylmethylamino)propan-2-ol
SMILESCC1CCCCC1OCC(O)CNCc1cccs1
InChIInChI=1S/C15H25NO2S/c1-12-5-2-3-7-15(12)18-11-13(17)9-16-10-14-6-4-8-19-14/h4,6,8,12-13,15-17H,2-3,5,7,9-11H2,1H3
InChIKeyQMPWNUWRGNFZLD-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.79
Rot. Bonds7

About 1-(2-methylcyclohexyl)oxy-3-(thiophen-2-ylmethylamino)propan-2-ol

1-(2-methylcyclohexyl)oxy-3-(thiophen-2-ylmethylamino)propan-2-ol (PubChem CID 60633182) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)oxy-3-(thiophen-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)oxy-3-(thiophen-2-ylmethylamino)propan-2-ol
PubChem CID60633182
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-(2-methylcyclohexyl)oxy-3-(thiophen-2-ylmethylamino)propan-2-ol
SMILESCC1CCCCC1OCC(O)CNCc1cccs1
InChIInChI=1S/C15H25NO2S/c1-12-5-2-3-7-15(12)18-11-13(17)9-16-10-14-6-4-8-19-14/h4,6,8,12-13,15-17H,2-3,5,7,9-11H2,1H3
InChIKeyQMPWNUWRGNFZLD-UHFFFAOYSA-N
XLogP2.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylcyclohexyl)oxy-3-(thiophen-2-ylmethylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-fluorophenyl)methylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60632525
1-(2-methylcyclohexyl)oxy-3-(2-methylpropylamino)propan-2-ol
CID 60635615
1-(2-hydroxypropylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60634518
1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 82882583
4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol
CID 64910999
1-(2,6-dimethylanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 62332087
3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol
CID 115359847
1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 63867829
1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 106989341
1-(2-propan-2-yloxyethoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633221
1-[2-(2-hydroxyethoxy)ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60632962
1-(2-methylcyclohexyl)oxy-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol
CID 106325720

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)oxy-3-(thiophen-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(2-methylcyclohexyl)oxy-3-(thiophen-2-ylmethylamino)propan-2-ol (CID 60633182) is 1-(2-methylcyclohexyl)oxy-3-(thiophen-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methylcyclohexyl)oxy-3-(thiophen-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(2-methylcyclohexyl)oxy-3-(thiophen-2-ylmethylamino)propan-2-ol is CC1CCCCC1OCC(O)CNCc1cccs1.
What is the InChIKey of 1-(2-methylcyclohexyl)oxy-3-(thiophen-2-ylmethylamino)propan-2-ol?
The InChIKey is QMPWNUWRGNFZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-12-5-2-3-7-15(12)18-11-13(17)9-16-10-14-6-4-8-19-14/h4,6,8,12-13,15-17H,2-3,5,7,9-11H2,1H3.
What are the key properties of 1-(2-methylcyclohexyl)oxy-3-(thiophen-2-ylmethylamino)propan-2-ol?
1-(2-methylcyclohexyl)oxy-3-(thiophen-2-ylmethylamino)propan-2-ol has a molecular weight of 283.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)oxy-3-(thiophen-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 60633182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).