4-[(2-methylphenyl)methyl]-2-(2-phenylethyl)morpholine

C20H25NO — CID 72737772

IUPAC4-[(2-methylphenyl)methyl]-2-(2-phenylethyl)morpholine
SMILESCc1ccccc1CN1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C20H25NO/c1-17-7-5-6-10-19(17)15-21-13-14-22-20(16-21)12-11-18-8-3-2-4-9-18/h2-10,20H,11-16H2,1H3
InChIKeyVUQABHBLIKWWTH-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.83
Rot. Bonds5

About 4-[(2-methylphenyl)methyl]-2-(2-phenylethyl)morpholine

4-[(2-methylphenyl)methyl]-2-(2-phenylethyl)morpholine (PubChem CID 72737772) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-[(2-methylphenyl)methyl]-2-(2-phenylethyl)morpholine.

Molecular Properties

Compound Name4-[(2-methylphenyl)methyl]-2-(2-phenylethyl)morpholine
PubChem CID72737772
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name4-[(2-methylphenyl)methyl]-2-(2-phenylethyl)morpholine
SMILESCc1ccccc1CN1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C20H25NO/c1-17-7-5-6-10-19(17)15-21-13-14-22-20(16-21)12-11-18-8-3-2-4-9-18/h2-10,20H,11-16H2,1H3
InChIKeyVUQABHBLIKWWTH-UHFFFAOYSA-N
XLogP3.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(2-methylphenyl)methyl]-2-(2-phenylethyl)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 4-[(2-methylphenyl)methyl]-2-(2-phenylethyl)morpholine?
The IUPAC name of 4-[(2-methylphenyl)methyl]-2-(2-phenylethyl)morpholine (CID 72737772) is 4-[(2-methylphenyl)methyl]-2-(2-phenylethyl)morpholine.
What is the SMILES notation for 4-[(2-methylphenyl)methyl]-2-(2-phenylethyl)morpholine?
The canonical SMILES for 4-[(2-methylphenyl)methyl]-2-(2-phenylethyl)morpholine is Cc1ccccc1CN1CCOC(CCc2ccccc2)C1.
What is the InChIKey of 4-[(2-methylphenyl)methyl]-2-(2-phenylethyl)morpholine?
The InChIKey is VUQABHBLIKWWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-17-7-5-6-10-19(17)15-21-13-14-22-20(16-21)12-11-18-8-3-2-4-9-18/h2-10,20H,11-16H2,1H3.
What are the key properties of 4-[(2-methylphenyl)methyl]-2-(2-phenylethyl)morpholine?
4-[(2-methylphenyl)methyl]-2-(2-phenylethyl)morpholine has a molecular weight of 295.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)methyl]-2-(2-phenylethyl)morpholine is sourced from PubChem (CID 72737772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).