3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol

C16H25NO3 — CID 102936466

IUPAC3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(O)CCN1CC(C)OC(CO)C1
InChIInChI=1S/C16H25NO3/c1-12-5-3-4-6-15(12)16(19)7-8-17-9-13(2)20-14(10-17)11-18/h3-6,13-14,16,18-19H,7-11H2,1-2H3
InChIKeyGJLUNTYWILTNNB-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.50
Rot. Bonds5

About 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol

3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol (PubChem CID 102936466) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
PubChem CID102936466
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(O)CCN1CC(C)OC(CO)C1
InChIInChI=1S/C16H25NO3/c1-12-5-3-4-6-15(12)16(19)7-8-17-9-13(2)20-14(10-17)11-18/h3-6,13-14,16,18-19H,7-11H2,1-2H3
InChIKeyGJLUNTYWILTNNB-UHFFFAOYSA-N
XLogP1.50
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
CID 81212708
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol
CID 103539283
1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol
CID 62623816
1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 62623454
1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 62623999
[4-[2-amino-1-(2-methylphenyl)butyl]-6-methylmorpholin-2-yl]methanol
CID 102932165
1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol
CID 62622922
[6-methyl-4-[3-(methylamino)-3-(3-methylphenyl)propyl]morpholin-2-yl]methanol
CID 102936392
1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 66370370
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methyl-N-phenylacetamide
CID 102935696
3-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)propan-1-ol
CID 62624012
2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol
CID 62973662

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol (CID 102936466) is 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol is Cc1ccccc1C(O)CCN1CC(C)OC(CO)C1.
What is the InChIKey of 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol?
The InChIKey is GJLUNTYWILTNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12-5-3-4-6-15(12)16(19)7-8-17-9-13(2)20-14(10-17)11-18/h3-6,13-14,16,18-19H,7-11H2,1-2H3.
What are the key properties of 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol?
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 102936466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).