[3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone

C21H26N2O2 — CID 47622276

IUPAC[3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone
SMILESCc1ccc(C)c(CNc2cccc(C(=O)N3CCOCC3)c2C)c1
InChIInChI=1S/C21H26N2O2/c1-15-7-8-16(2)18(13-15)14-22-20-6-4-5-19(17(20)3)21(24)23-9-11-25-12-10-23/h4-8,13,22H,9-12,14H2,1-3H3
InChIKeyDKPWVAJTZUNADX-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.70
Rot. Bonds4

About [3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone

[3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone (PubChem CID 47622276) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is [3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone
PubChem CID47622276
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name[3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone
SMILESCc1ccc(C)c(CNc2cccc(C(=O)N3CCOCC3)c2C)c1
InChIInChI=1S/C21H26N2O2/c1-15-7-8-16(2)18(13-15)14-22-20-6-4-5-19(17(20)3)21(24)23-9-11-25-12-10-23/h4-8,13,22H,9-12,14H2,1-3H3
InChIKeyDKPWVAJTZUNADX-UHFFFAOYSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone 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 [3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone (CID 47622276) is [3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone is Cc1ccc(C)c(CNc2cccc(C(=O)N3CCOCC3)c2C)c1.
What is the InChIKey of [3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone?
The InChIKey is DKPWVAJTZUNADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-7-8-16(2)18(13-15)14-22-20-6-4-5-19(17(20)3)21(24)23-9-11-25-12-10-23/h4-8,13,22H,9-12,14H2,1-3H3.
What are the key properties of [3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone?
[3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone has a molecular weight of 338.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 47622276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).