4-[(3,4-dimethoxyphenyl)methyl]morpholine

C13H19NO3 — CID 782582

IUPAC4-[(3,4-dimethoxyphenyl)methyl]morpholine
SMILESCOc1ccc(CN2CCOCC2)cc1OC
InChIInChI=1S/C13H19NO3/c1-15-12-4-3-11(9-13(12)16-2)10-14-5-7-17-8-6-14/h3-4,9H,5-8,10H2,1-2H3
InChIKeyBVODXXKHVBGLJY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.54
Rot. Bonds4

About 4-[(3,4-dimethoxyphenyl)methyl]morpholine

4-[(3,4-dimethoxyphenyl)methyl]morpholine (PubChem CID 782582) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)methyl]morpholine
PubChem CID782582
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-[(3,4-dimethoxyphenyl)methyl]morpholine
SMILESCOc1ccc(CN2CCOCC2)cc1OC
InChIInChI=1S/C13H19NO3/c1-15-12-4-3-11(9-13(12)16-2)10-14-5-7-17-8-6-14/h3-4,9H,5-8,10H2,1-2H3
InChIKeyBVODXXKHVBGLJY-UHFFFAOYSA-N
XLogP1.54
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)methyl]morpholine?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)methyl]morpholine (CID 782582) is 4-[(3,4-dimethoxyphenyl)methyl]morpholine.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)methyl]morpholine?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)methyl]morpholine is COc1ccc(CN2CCOCC2)cc1OC.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)methyl]morpholine?
The InChIKey is BVODXXKHVBGLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-12-4-3-11(9-13(12)16-2)10-14-5-7-17-8-6-14/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 4-[(3,4-dimethoxyphenyl)methyl]morpholine?
4-[(3,4-dimethoxyphenyl)methyl]morpholine has a molecular weight of 237.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyphenyl)methyl]morpholine is sourced from PubChem (CID 782582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).