2-ethyl-2-(3-methoxyphenyl)-4,6,6-trimethylmorpholine

C16H25NO2 — CID 20517549

IUPAC2-ethyl-2-(3-methoxyphenyl)-4,6,6-trimethylmorpholine
SMILESCCC1(c2cccc(OC)c2)CN(C)CC(C)(C)O1
InChIInChI=1S/C16H25NO2/c1-6-16(12-17(4)11-15(2,3)19-16)13-8-7-9-14(10-13)18-5/h7-10H,6,11-12H2,1-5H3
InChIKeyHDAKSNJPDXMQPC-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.04
Rot. Bonds3

About 2-ethyl-2-(3-methoxyphenyl)-4,6,6-trimethylmorpholine

2-ethyl-2-(3-methoxyphenyl)-4,6,6-trimethylmorpholine (PubChem CID 20517549) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-ethyl-2-(3-methoxyphenyl)-4,6,6-trimethylmorpholine.

Molecular Properties

Compound Name2-ethyl-2-(3-methoxyphenyl)-4,6,6-trimethylmorpholine
PubChem CID20517549
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-ethyl-2-(3-methoxyphenyl)-4,6,6-trimethylmorpholine
SMILESCCC1(c2cccc(OC)c2)CN(C)CC(C)(C)O1
InChIInChI=1S/C16H25NO2/c1-6-16(12-17(4)11-15(2,3)19-16)13-8-7-9-14(10-13)18-5/h7-10H,6,11-12H2,1-5H3
InChIKeyHDAKSNJPDXMQPC-UHFFFAOYSA-N
XLogP3.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-diethyl-6-(3-methoxyphenyl)-4-methylmorpholin-3-one
CID 70527440
(3R)-3-(3-methoxyphenyl)-1,3-dimethylpiperidine
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(2S)-2-ethyl-2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide;hydrochloride
CID 70508703
(1S,7S)-7-ethoxy-1-(3-methoxyphenyl)-3-methyl-3-azabicyclo[3.2.0]heptane
CID 70488088
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
2-(3-methoxyphenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine
CID 102742931
3-(3-methoxyphenyl)-3-methyldiaziridine
CID 167685636
(3R,4S)-1-ethyl-4-(3-methoxyphenyl)-3,4-dimethylpiperidine
CID 18393824
2-(3-methoxyphenyl)-2-propylazetidine
CID 115058563
2-(3-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389909
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CID 71401256
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CID 64997497

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-methoxyphenyl)-4,6,6-trimethylmorpholine?
The IUPAC name of 2-ethyl-2-(3-methoxyphenyl)-4,6,6-trimethylmorpholine (CID 20517549) is 2-ethyl-2-(3-methoxyphenyl)-4,6,6-trimethylmorpholine.
What is the SMILES notation for 2-ethyl-2-(3-methoxyphenyl)-4,6,6-trimethylmorpholine?
The canonical SMILES for 2-ethyl-2-(3-methoxyphenyl)-4,6,6-trimethylmorpholine is CCC1(c2cccc(OC)c2)CN(C)CC(C)(C)O1.
What is the InChIKey of 2-ethyl-2-(3-methoxyphenyl)-4,6,6-trimethylmorpholine?
The InChIKey is HDAKSNJPDXMQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-16(12-17(4)11-15(2,3)19-16)13-8-7-9-14(10-13)18-5/h7-10H,6,11-12H2,1-5H3.
What are the key properties of 2-ethyl-2-(3-methoxyphenyl)-4,6,6-trimethylmorpholine?
2-ethyl-2-(3-methoxyphenyl)-4,6,6-trimethylmorpholine has a molecular weight of 263.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-methoxyphenyl)-4,6,6-trimethylmorpholine is sourced from PubChem (CID 20517549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).