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

C18H29NO2 — CID 114342759

IUPAC3-(4,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
SMILESCNC(CO)(COC1CCC(C)(C)CC1)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-17(2)11-9-16(10-12-17)21-14-18(13-20,19-3)15-7-5-4-6-8-15/h4-8,16,19-20H,9-14H2,1-3H3
InChIKeyTZYDBJDJHJQEAY-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.08
Rot. Bonds6

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

3-(4,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol (PubChem CID 114342759) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 3-(4,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(4,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
PubChem CID114342759
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name3-(4,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
SMILESCNC(CO)(COC1CCC(C)(C)CC1)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-17(2)11-9-16(10-12-17)21-14-18(13-20,19-3)15-7-5-4-6-8-15/h4-8,16,19-20H,9-14H2,1-3H3
InChIKeyTZYDBJDJHJQEAY-UHFFFAOYSA-N
XLogP3.08
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 ≤ 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-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
CID 64807326
4-cyclopentyloxy-2-(methylamino)-2-phenylbutan-1-ol
CID 116695498
3-cyclopentyloxy-2-(ethylamino)-2-phenylpropan-1-ol
CID 64804494
3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64809912
3-(2-ethylphenoxy)-2-(methylamino)-2-phenylpropan-1-ol
CID 64806249
3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol
CID 64787052
2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol
CID 66371052
4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695556
4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694241
2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol
CID 116695468
N-[2-(4,4-dimethylcyclohexyl)oxyethyl]aniline
CID 114342570

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol?
The IUPAC name of 3-(4,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol (CID 114342759) is 3-(4,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-(4,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 3-(4,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol is CNC(CO)(COC1CCC(C)(C)CC1)c1ccccc1.
What is the InChIKey of 3-(4,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol?
The InChIKey is TZYDBJDJHJQEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-17(2)11-9-16(10-12-17)21-14-18(13-20,19-3)15-7-5-4-6-8-15/h4-8,16,19-20H,9-14H2,1-3H3.
What are the key properties of 3-(4,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol?
3-(4,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol has a molecular weight of 291.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 114342759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).