2-(2,4-dimethoxyphenyl)-3-methylmorpholine

C13H19NO3 — CID 82291917

IUPAC2-(2,4-dimethoxyphenyl)-3-methylmorpholine
SMILESCOc1ccc(C2OCCNC2C)c(OC)c1
InChIInChI=1S/C13H19NO3/c1-9-13(17-7-6-14-9)11-5-4-10(15-2)8-12(11)16-3/h4-5,8-9,13-14H,6-7H2,1-3H3
InChIKeyCQNCHQKFOPPKRE-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.75
Rot. Bonds3

About 2-(2,4-dimethoxyphenyl)-3-methylmorpholine

2-(2,4-dimethoxyphenyl)-3-methylmorpholine (PubChem CID 82291917) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-3-methylmorpholine.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-3-methylmorpholine
PubChem CID82291917
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(2,4-dimethoxyphenyl)-3-methylmorpholine
SMILESCOc1ccc(C2OCCNC2C)c(OC)c1
InChIInChI=1S/C13H19NO3/c1-9-13(17-7-6-14-9)11-5-4-10(15-2)8-12(11)16-3/h4-5,8-9,13-14H,6-7H2,1-3H3
InChIKeyCQNCHQKFOPPKRE-UHFFFAOYSA-N
XLogP1.75
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-5-methylphenyl)-3-methylmorpholine
CID 82286583
(4aS,11bS)-9-methoxy-3,4,4a,5,6,11b-hexahydro-2H-[1]benzoxepino[5,4-b][1,4]oxazine
CID 70404368
1-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 82300465
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
N-[[2-(2,4-dimethoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79370940
10-methoxy-3,4,4a,5,6,11b-hexahydro-2H-[1]benzoxepino[5,4-b][1,4]oxazine;hydrochloride
CID 21296361
(2S,7S)-14-methoxy-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-triene
CID 3068861
(2R)-2-(2,4-dimethoxyphenyl)piperazine;hydrochloride
CID 171194245
(2R)-2-(2,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171195361
2-(4-ethoxyphenyl)-3-methylmorpholine
CID 82286594
3-(2,4-dimethoxyphenyl)-1,2,3,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]oxazepine
CID 106364355
3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-3-methylmorpholine?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-3-methylmorpholine (CID 82291917) is 2-(2,4-dimethoxyphenyl)-3-methylmorpholine.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-3-methylmorpholine?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-3-methylmorpholine is COc1ccc(C2OCCNC2C)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-3-methylmorpholine?
The InChIKey is CQNCHQKFOPPKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-13(17-7-6-14-9)11-5-4-10(15-2)8-12(11)16-3/h4-5,8-9,13-14H,6-7H2,1-3H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-3-methylmorpholine?
2-(2,4-dimethoxyphenyl)-3-methylmorpholine has a molecular weight of 237.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-3-methylmorpholine is sourced from PubChem (CID 82291917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).