1-(2-ethylcyclohexyl)oxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol

C16H33NO3 — CID 104760627

IUPAC1-(2-ethylcyclohexyl)oxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
SMILESCCC1CCCCC1OCC(O)CNCC(C)(C)OC
InChIInChI=1S/C16H33NO3/c1-5-13-8-6-7-9-15(13)20-11-14(18)10-17-12-16(2,3)19-4/h13-15,17-18H,5-12H2,1-4H3
InChIKeyHOQHFLOTASUOGW-UHFFFAOYSA-N
MW287.44 g/mol
LogP2.35
Rot. Bonds9

About 1-(2-ethylcyclohexyl)oxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol

1-(2-ethylcyclohexyl)oxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol (PubChem CID 104760627) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)oxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)oxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
PubChem CID104760627
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name1-(2-ethylcyclohexyl)oxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
SMILESCCC1CCCCC1OCC(O)CNCC(C)(C)OC
InChIInChI=1S/C16H33NO3/c1-5-13-8-6-7-9-15(13)20-11-14(18)10-17-12-16(2,3)19-4/h13-15,17-18H,5-12H2,1-4H3
InChIKeyHOQHFLOTASUOGW-UHFFFAOYSA-N
XLogP2.35
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 103461387
3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106275918
4-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol
CID 106146851
1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 60633455
1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 104760353
1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol
CID 60632867
1-(2-ethylcyclohexyl)oxy-3-(methoxyamino)propan-2-ol
CID 60702585
1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)propan-2-ol
CID 106188853
1-(2-ethylcyclohexyl)oxy-3-(pent-3-ynylamino)propan-2-ol
CID 116643947
1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 104760485
2-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-N,N-dimethylacetamide
CID 60901795
1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61040455

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)oxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol?
The IUPAC name of 1-(2-ethylcyclohexyl)oxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol (CID 104760627) is 1-(2-ethylcyclohexyl)oxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-ethylcyclohexyl)oxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol?
The canonical SMILES for 1-(2-ethylcyclohexyl)oxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol is CCC1CCCCC1OCC(O)CNCC(C)(C)OC.
What is the InChIKey of 1-(2-ethylcyclohexyl)oxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol?
The InChIKey is HOQHFLOTASUOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-5-13-8-6-7-9-15(13)20-11-14(18)10-17-12-16(2,3)19-4/h13-15,17-18H,5-12H2,1-4H3.
What are the key properties of 1-(2-ethylcyclohexyl)oxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol?
1-(2-ethylcyclohexyl)oxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol has a molecular weight of 287.44 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)oxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol is sourced from PubChem (CID 104760627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).