4-[(4-methoxyphenyl)methyl]-3-methylmorpholine

C13H19NO2 — CID 67042011

IUPAC4-[(4-methoxyphenyl)methyl]-3-methylmorpholine
SMILESCOc1ccc(CN2CCOCC2C)cc1
InChIInChI=1S/C13H19NO2/c1-11-10-16-8-7-14(11)9-12-3-5-13(15-2)6-4-12/h3-6,11H,7-10H2,1-2H3
InChIKeyGZNZFZNYOWLQED-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.92
Rot. Bonds3

About 4-[(4-methoxyphenyl)methyl]-3-methylmorpholine

4-[(4-methoxyphenyl)methyl]-3-methylmorpholine (PubChem CID 67042011) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-3-methylmorpholine
PubChem CID67042011
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[(4-methoxyphenyl)methyl]-3-methylmorpholine
SMILESCOc1ccc(CN2CCOCC2C)cc1
InChIInChI=1S/C13H19NO2/c1-11-10-16-8-7-14(11)9-12-3-5-13(15-2)6-4-12/h3-6,11H,7-10H2,1-2H3
InChIKeyGZNZFZNYOWLQED-UHFFFAOYSA-N
XLogP1.92
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-3-methylmorpholine?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-3-methylmorpholine (CID 67042011) is 4-[(4-methoxyphenyl)methyl]-3-methylmorpholine.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-3-methylmorpholine?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-3-methylmorpholine is COc1ccc(CN2CCOCC2C)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-3-methylmorpholine?
The InChIKey is GZNZFZNYOWLQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-11-10-16-8-7-14(11)9-12-3-5-13(15-2)6-4-12/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-3-methylmorpholine?
4-[(4-methoxyphenyl)methyl]-3-methylmorpholine has a molecular weight of 221.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-3-methylmorpholine is sourced from PubChem (CID 67042011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).