5-benzyl-2-(2,5-dimethylphenyl)morpholine

C19H23NO — CID 63261254

IUPAC5-benzyl-2-(2,5-dimethylphenyl)morpholine
SMILESCc1ccc(C)c(C2CNC(Cc3ccccc3)CO2)c1
InChIInChI=1S/C19H23NO/c1-14-8-9-15(2)18(10-14)19-12-20-17(13-21-19)11-16-6-4-3-5-7-16/h3-10,17,19-20H,11-13H2,1-2H3
InChIKeyCMBFOTALXDDMTF-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.58
Rot. Bonds3

About 5-benzyl-2-(2,5-dimethylphenyl)morpholine

5-benzyl-2-(2,5-dimethylphenyl)morpholine (PubChem CID 63261254) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-benzyl-2-(2,5-dimethylphenyl)morpholine.

Molecular Properties

Compound Name5-benzyl-2-(2,5-dimethylphenyl)morpholine
PubChem CID63261254
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name5-benzyl-2-(2,5-dimethylphenyl)morpholine
SMILESCc1ccc(C)c(C2CNC(Cc3ccccc3)CO2)c1
InChIInChI=1S/C19H23NO/c1-14-8-9-15(2)18(10-14)19-12-20-17(13-21-19)11-16-6-4-3-5-7-16/h3-10,17,19-20H,11-13H2,1-2H3
InChIKeyCMBFOTALXDDMTF-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-benzyl-2-(2,5-dimethylphenyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(2,5-dimethylphenyl)morpholine?
The IUPAC name of 5-benzyl-2-(2,5-dimethylphenyl)morpholine (CID 63261254) is 5-benzyl-2-(2,5-dimethylphenyl)morpholine.
What is the SMILES notation for 5-benzyl-2-(2,5-dimethylphenyl)morpholine?
The canonical SMILES for 5-benzyl-2-(2,5-dimethylphenyl)morpholine is Cc1ccc(C)c(C2CNC(Cc3ccccc3)CO2)c1.
What is the InChIKey of 5-benzyl-2-(2,5-dimethylphenyl)morpholine?
The InChIKey is CMBFOTALXDDMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-8-9-15(2)18(10-14)19-12-20-17(13-21-19)11-16-6-4-3-5-7-16/h3-10,17,19-20H,11-13H2,1-2H3.
What are the key properties of 5-benzyl-2-(2,5-dimethylphenyl)morpholine?
5-benzyl-2-(2,5-dimethylphenyl)morpholine has a molecular weight of 281.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(2,5-dimethylphenyl)morpholine is sourced from PubChem (CID 63261254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).