1-(3,4-dimethylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol

C17H27NO2 — CID 48632369

IUPAC1-(3,4-dimethylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol
SMILESCc1ccc(C(O)CN2CC(C)OC(C)(C)C2)cc1C
InChIInChI=1S/C17H27NO2/c1-12-6-7-15(8-13(12)2)16(19)10-18-9-14(3)20-17(4,5)11-18/h6-8,14,16,19H,9-11H2,1-5H3
InChIKeyKOFANUFJRCPYAJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.84
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol

1-(3,4-dimethylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol (PubChem CID 48632369) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol
PubChem CID48632369
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(3,4-dimethylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol
SMILESCc1ccc(C(O)CN2CC(C)OC(C)(C)C2)cc1C
InChIInChI=1S/C17H27NO2/c1-12-6-7-15(8-13(12)2)16(19)10-18-9-14(3)20-17(4,5)11-18/h6-8,14,16,19H,9-11H2,1-5H3
InChIKeyKOFANUFJRCPYAJ-UHFFFAOYSA-N
XLogP2.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2,5-difluorophenyl)-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanol
CID 95586158
1-(2-aminophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol
CID 62266500
1-(3,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol
CID 79038375
1-(4-fluorophenyl)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-ol
CID 62629822
1-[4-(aminomethyl)phenyl]-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114776470
(2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
CID 95610555
2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dimethylphenyl)ethanol
CID 63159070
1-cyclopentyl-2-(2,2,6-trimethylmorpholin-4-yl)ethanol
CID 104752739
2-amino-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-ol
CID 64789370
(2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95336027
1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 95138379
1-(3,4-dimethylphenyl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol
CID 82215778

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol (CID 48632369) is 1-(3,4-dimethylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol is Cc1ccc(C(O)CN2CC(C)OC(C)(C)C2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol?
The InChIKey is KOFANUFJRCPYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-6-7-15(8-13(12)2)16(19)10-18-9-14(3)20-17(4,5)11-18/h6-8,14,16,19H,9-11H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol?
1-(3,4-dimethylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol has a molecular weight of 277.41 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol is sourced from PubChem (CID 48632369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).