2-[4-(2,3-dimethylphenoxy)phenyl]-4-(2-methylpropyl)morpholine

C22H29NO2 — CID 66653670

IUPAC2-[4-(2,3-dimethylphenoxy)phenyl]-4-(2-methylpropyl)morpholine
SMILESCc1cccc(Oc2ccc(C3CN(CC(C)C)CCO3)cc2)c1C
InChIInChI=1S/C22H29NO2/c1-16(2)14-23-12-13-24-22(15-23)19-8-10-20(11-9-19)25-21-7-5-6-17(3)18(21)4/h5-11,16,22H,12-15H2,1-4H3
InChIKeyCEYFHQUEDFTUAC-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.13
Rot. Bonds5

About 2-[4-(2,3-dimethylphenoxy)phenyl]-4-(2-methylpropyl)morpholine

2-[4-(2,3-dimethylphenoxy)phenyl]-4-(2-methylpropyl)morpholine (PubChem CID 66653670) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenoxy)phenyl]-4-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenoxy)phenyl]-4-(2-methylpropyl)morpholine
PubChem CID66653670
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name2-[4-(2,3-dimethylphenoxy)phenyl]-4-(2-methylpropyl)morpholine
SMILESCc1cccc(Oc2ccc(C3CN(CC(C)C)CCO3)cc2)c1C
InChIInChI=1S/C22H29NO2/c1-16(2)14-23-12-13-24-22(15-23)19-8-10-20(11-9-19)25-21-7-5-6-17(3)18(21)4/h5-11,16,22H,12-15H2,1-4H3
InChIKeyCEYFHQUEDFTUAC-UHFFFAOYSA-N
XLogP5.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenoxy)phenyl]-4-(2-methylpropyl)morpholine?
The IUPAC name of 2-[4-(2,3-dimethylphenoxy)phenyl]-4-(2-methylpropyl)morpholine (CID 66653670) is 2-[4-(2,3-dimethylphenoxy)phenyl]-4-(2-methylpropyl)morpholine.
What is the SMILES notation for 2-[4-(2,3-dimethylphenoxy)phenyl]-4-(2-methylpropyl)morpholine?
The canonical SMILES for 2-[4-(2,3-dimethylphenoxy)phenyl]-4-(2-methylpropyl)morpholine is Cc1cccc(Oc2ccc(C3CN(CC(C)C)CCO3)cc2)c1C.
What is the InChIKey of 2-[4-(2,3-dimethylphenoxy)phenyl]-4-(2-methylpropyl)morpholine?
The InChIKey is CEYFHQUEDFTUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-16(2)14-23-12-13-24-22(15-23)19-8-10-20(11-9-19)25-21-7-5-6-17(3)18(21)4/h5-11,16,22H,12-15H2,1-4H3.
What are the key properties of 2-[4-(2,3-dimethylphenoxy)phenyl]-4-(2-methylpropyl)morpholine?
2-[4-(2,3-dimethylphenoxy)phenyl]-4-(2-methylpropyl)morpholine has a molecular weight of 339.48 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylphenoxy)phenyl]-4-(2-methylpropyl)morpholine is sourced from PubChem (CID 66653670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).