4-[(4-methoxy-2,3-dimethylphenyl)methyl]morpholine

C14H21NO2 — CID 782672

IUPAC4-[(4-methoxy-2,3-dimethylphenyl)methyl]morpholine
SMILESCOc1ccc(CN2CCOCC2)c(C)c1C
InChIInChI=1S/C14H21NO2/c1-11-12(2)14(16-3)5-4-13(11)10-15-6-8-17-9-7-15/h4-5H,6-10H2,1-3H3
InChIKeyMCZCBNQTEJGAQM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.14
Rot. Bonds3

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

4-[(4-methoxy-2,3-dimethylphenyl)methyl]morpholine (PubChem CID 782672) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[(4-methoxy-2,3-dimethylphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-methoxy-2,3-dimethylphenyl)methyl]morpholine
PubChem CID782672
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[(4-methoxy-2,3-dimethylphenyl)methyl]morpholine
SMILESCOc1ccc(CN2CCOCC2)c(C)c1C
InChIInChI=1S/C14H21NO2/c1-11-12(2)14(16-3)5-4-13(11)10-15-6-8-17-9-7-15/h4-5H,6-10H2,1-3H3
InChIKeyMCZCBNQTEJGAQM-UHFFFAOYSA-N
XLogP2.14
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-2,3-dimethylphenyl)methyl]morpholine?
The IUPAC name of 4-[(4-methoxy-2,3-dimethylphenyl)methyl]morpholine (CID 782672) is 4-[(4-methoxy-2,3-dimethylphenyl)methyl]morpholine.
What is the SMILES notation for 4-[(4-methoxy-2,3-dimethylphenyl)methyl]morpholine?
The canonical SMILES for 4-[(4-methoxy-2,3-dimethylphenyl)methyl]morpholine is COc1ccc(CN2CCOCC2)c(C)c1C.
What is the InChIKey of 4-[(4-methoxy-2,3-dimethylphenyl)methyl]morpholine?
The InChIKey is MCZCBNQTEJGAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-12(2)14(16-3)5-4-13(11)10-15-6-8-17-9-7-15/h4-5H,6-10H2,1-3H3.
What are the key properties of 4-[(4-methoxy-2,3-dimethylphenyl)methyl]morpholine?
4-[(4-methoxy-2,3-dimethylphenyl)methyl]morpholine has a molecular weight of 235.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-2,3-dimethylphenyl)methyl]morpholine is sourced from PubChem (CID 782672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).