2-[(3,4-diethoxyphenyl)methyl]morpholine

C15H23NO3 — CID 116989260

IUPAC2-[(3,4-diethoxyphenyl)methyl]morpholine
SMILESCCOc1ccc(CC2CNCCO2)cc1OCC
InChIInChI=1S/C15H23NO3/c1-3-17-14-6-5-12(10-15(14)18-4-2)9-13-11-16-7-8-19-13/h5-6,10,13,16H,3-4,7-9,11H2,1-2H3
InChIKeyDFYKWEDAUKMQCH-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.01
Rot. Bonds6

About 2-[(3,4-diethoxyphenyl)methyl]morpholine

2-[(3,4-diethoxyphenyl)methyl]morpholine (PubChem CID 116989260) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[(3,4-diethoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name2-[(3,4-diethoxyphenyl)methyl]morpholine
PubChem CID116989260
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[(3,4-diethoxyphenyl)methyl]morpholine
SMILESCCOc1ccc(CC2CNCCO2)cc1OCC
InChIInChI=1S/C15H23NO3/c1-3-17-14-6-5-12(10-15(14)18-4-2)9-13-11-16-7-8-19-13/h5-6,10,13,16H,3-4,7-9,11H2,1-2H3
InChIKeyDFYKWEDAUKMQCH-UHFFFAOYSA-N
XLogP2.01
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3-chloro-4-propoxyphenyl)methyl]morpholine
CID 11507301
bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride
CID 157316678
2-[(2-ethoxyphenoxy)methyl]morpholine;methane
CID 158820908
(2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine
CID 11565325
(2R)-2-[[4-[(E)-but-2-enoxy]-3-chlorophenyl]methyl]morpholine
CID 11708951
2-[(6-methylnaphthalen-2-yl)methyl]morpholine
CID 116927898
(2R)-2-[(3-bromo-4-cyclopentyloxyphenyl)methyl]morpholine
CID 11573663
[4-(morpholin-2-ylmethyl)phenyl]methanamine
CID 174949580
2-[(4-bromophenyl)methyl]morpholine
CID 66730468
2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]methyl]morpholine
CID 67073483
2-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-oxazepane
CID 90877171
2-(4-ethoxy-2,5-dimethylphenyl)morpholine
CID 82116655

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-diethoxyphenyl)methyl]morpholine?
The IUPAC name of 2-[(3,4-diethoxyphenyl)methyl]morpholine (CID 116989260) is 2-[(3,4-diethoxyphenyl)methyl]morpholine.
What is the SMILES notation for 2-[(3,4-diethoxyphenyl)methyl]morpholine?
The canonical SMILES for 2-[(3,4-diethoxyphenyl)methyl]morpholine is CCOc1ccc(CC2CNCCO2)cc1OCC.
What is the InChIKey of 2-[(3,4-diethoxyphenyl)methyl]morpholine?
The InChIKey is DFYKWEDAUKMQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-17-14-6-5-12(10-15(14)18-4-2)9-13-11-16-7-8-19-13/h5-6,10,13,16H,3-4,7-9,11H2,1-2H3.
What are the key properties of 2-[(3,4-diethoxyphenyl)methyl]morpholine?
2-[(3,4-diethoxyphenyl)methyl]morpholine has a molecular weight of 265.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-diethoxyphenyl)methyl]morpholine is sourced from PubChem (CID 116989260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).