3-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol

C18H29NO2 — CID 64807326

IUPAC3-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
SMILESCCC1CCCC(OCC(CO)(NC)c2ccccc2)C1
InChIInChI=1S/C18H29NO2/c1-3-15-8-7-11-17(12-15)21-14-18(13-20,19-2)16-9-5-4-6-10-16/h4-6,9-10,15,17,19-20H,3,7-8,11-14H2,1-2H3
InChIKeyXSEBWZAXSOILEV-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.08
Rot. Bonds7

About 3-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol

3-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol (PubChem CID 64807326) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 3-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
PubChem CID64807326
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name3-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
SMILESCCC1CCCC(OCC(CO)(NC)c2ccccc2)C1
InChIInChI=1S/C18H29NO2/c1-3-15-8-7-11-17(12-15)21-14-18(13-20,19-2)16-9-5-4-6-10-16/h4-6,9-10,15,17,19-20H,3,7-8,11-14H2,1-2H3
InChIKeyXSEBWZAXSOILEV-UHFFFAOYSA-N
XLogP3.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
CID 64807323
3-(4,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
CID 114342759
3-cyclopentyloxy-2-(ethylamino)-2-phenylpropan-1-ol
CID 64804494
3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64809912
4-cyclopentyloxy-2-(methylamino)-2-phenylbutan-1-ol
CID 116695498
3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol
CID 64787052
3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol
CID 106206861
2-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-1-ol
CID 64807526
[1-bromo-2-(3-ethylcyclohexyl)oxypropan-2-yl]benzene
CID 114774331
2-[(3-ethylcyclohexyl)amino]-2-phenylpropan-1-ol
CID 115907205
4-(3-ethylpyrrolidin-1-yl)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695306
2-(cyclopropylmethylamino)-2-phenylbutan-1-ol
CID 61054828

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol?
The IUPAC name of 3-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol (CID 64807326) is 3-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 3-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol is CCC1CCCC(OCC(CO)(NC)c2ccccc2)C1.
What is the InChIKey of 3-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol?
The InChIKey is XSEBWZAXSOILEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-15-8-7-11-17(12-15)21-14-18(13-20,19-2)16-9-5-4-6-10-16/h4-6,9-10,15,17,19-20H,3,7-8,11-14H2,1-2H3.
What are the key properties of 3-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol?
3-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol has a molecular weight of 291.43 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 64807326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).