[4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol

C16H25NO3 — CID 102935690

IUPAC[4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
SMILESCc1ccc(C)c(OCCN2CC(C)OC(CO)C2)c1
InChIInChI=1S/C16H25NO3/c1-12-4-5-13(2)16(8-12)19-7-6-17-9-14(3)20-15(10-17)11-18/h4-5,8,14-15,18H,6-7,9-11H2,1-3H3
InChIKeyPMYMIMQUVCJJNI-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.76
Rot. Bonds5

About [4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol

[4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102935690) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is [4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
PubChem CID102935690
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name[4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
SMILESCc1ccc(C)c(OCCN2CC(C)OC(CO)C2)c1
InChIInChI=1S/C16H25NO3/c1-12-4-5-13(2)16(8-12)19-7-6-17-9-14(3)20-15(10-17)11-18/h4-5,8,14-15,18H,6-7,9-11H2,1-3H3
InChIKeyPMYMIMQUVCJJNI-UHFFFAOYSA-N
XLogP1.76
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol
CID 106672249
[4-[2-(2,5-dimethylphenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779812
(2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 887366
2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]benzoic acid
CID 102933390
[4-[2-(4-aminophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932079
(2R,6S)-2,6-dimethyl-4-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]morpholine
CID 887414
[4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102935770
[4-[2-[3-(aminomethyl)phenoxy]ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932263
1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114681408
1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine
CID 65250062
2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]ethanol
CID 102934999
(2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine
CID 2182666

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol (CID 102935690) is [4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol is Cc1ccc(C)c(OCCN2CC(C)OC(CO)C2)c1.
What is the InChIKey of [4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is PMYMIMQUVCJJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12-4-5-13(2)16(8-12)19-7-6-17-9-14(3)20-15(10-17)11-18/h4-5,8,14-15,18H,6-7,9-11H2,1-3H3.
What are the key properties of [4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol?
[4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 279.38 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102935690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).