4-benzyl-3-(2,3-dimethylphenyl)morpholine

C19H23NO — CID 67471194

IUPAC4-benzyl-3-(2,3-dimethylphenyl)morpholine
SMILESCc1cccc(C2COCCN2Cc2ccccc2)c1C
InChIInChI=1S/C19H23NO/c1-15-7-6-10-18(16(15)2)19-14-21-12-11-20(19)13-17-8-4-3-5-9-17/h3-10,19H,11-14H2,1-2H3
InChIKeyGAYGPEHTINQGTG-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.88
Rot. Bonds3

About 4-benzyl-3-(2,3-dimethylphenyl)morpholine

4-benzyl-3-(2,3-dimethylphenyl)morpholine (PubChem CID 67471194) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-benzyl-3-(2,3-dimethylphenyl)morpholine.

Molecular Properties

Compound Name4-benzyl-3-(2,3-dimethylphenyl)morpholine
PubChem CID67471194
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-benzyl-3-(2,3-dimethylphenyl)morpholine
SMILESCc1cccc(C2COCCN2Cc2ccccc2)c1C
InChIInChI=1S/C19H23NO/c1-15-7-6-10-18(16(15)2)19-14-21-12-11-20(19)13-17-8-4-3-5-9-17/h3-10,19H,11-14H2,1-2H3
InChIKeyGAYGPEHTINQGTG-UHFFFAOYSA-N
XLogP3.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-benzyl-3-(2,3-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 4-benzyl-3-(2,3-dimethylphenyl)morpholine?
The IUPAC name of 4-benzyl-3-(2,3-dimethylphenyl)morpholine (CID 67471194) is 4-benzyl-3-(2,3-dimethylphenyl)morpholine.
What is the SMILES notation for 4-benzyl-3-(2,3-dimethylphenyl)morpholine?
The canonical SMILES for 4-benzyl-3-(2,3-dimethylphenyl)morpholine is Cc1cccc(C2COCCN2Cc2ccccc2)c1C.
What is the InChIKey of 4-benzyl-3-(2,3-dimethylphenyl)morpholine?
The InChIKey is GAYGPEHTINQGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-15-7-6-10-18(16(15)2)19-14-21-12-11-20(19)13-17-8-4-3-5-9-17/h3-10,19H,11-14H2,1-2H3.
What are the key properties of 4-benzyl-3-(2,3-dimethylphenyl)morpholine?
4-benzyl-3-(2,3-dimethylphenyl)morpholine has a molecular weight of 281.40 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-(2,3-dimethylphenyl)morpholine is sourced from PubChem (CID 67471194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).