3-(3,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol

C18H29NO2 — CID 64807323

IUPAC3-(3,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
SMILESCNC(CO)(COC1CCC(C)C(C)C1)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-14-9-10-17(11-15(14)2)21-13-18(12-20,19-3)16-7-5-4-6-8-16/h4-8,14-15,17,19-20H,9-13H2,1-3H3
InChIKeyPNSOYQJROJQGDH-UHFFFAOYSA-N
MW291.43 g/mol
LogP2.93
Rot. Bonds6

About 3-(3,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol

3-(3,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol (PubChem CID 64807323) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 3-(3,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(3,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
PubChem CID64807323
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name3-(3,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
SMILESCNC(CO)(COC1CCC(C)C(C)C1)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-14-9-10-17(11-15(14)2)21-13-18(12-20,19-3)16-7-5-4-6-8-16/h4-8,14-15,17,19-20H,9-13H2,1-3H3
InChIKeyPNSOYQJROJQGDH-UHFFFAOYSA-N
XLogP2.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol?
The IUPAC name of 3-(3,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol (CID 64807323) is 3-(3,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-(3,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 3-(3,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol is CNC(CO)(COC1CCC(C)C(C)C1)c1ccccc1.
What is the InChIKey of 3-(3,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol?
The InChIKey is PNSOYQJROJQGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14-9-10-17(11-15(14)2)21-13-18(12-20,19-3)16-7-5-4-6-8-16/h4-8,14-15,17,19-20H,9-13H2,1-3H3.
What are the key properties of 3-(3,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol?
3-(3,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol has a molecular weight of 291.43 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 64807323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).