4-[(4-chlorophenyl)methyl]-2-[[2-(2-methoxyethoxy)phenoxy]methyl]morpholine

C21H26ClNO4 — CID 11280787

IUPAC4-[(4-chlorophenyl)methyl]-2-[[2-(2-methoxyethoxy)phenoxy]methyl]morpholine
SMILESCOCCOc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C21H26ClNO4/c1-24-12-13-26-20-4-2-3-5-21(20)27-16-19-15-23(10-11-25-19)14-17-6-8-18(22)9-7-17/h2-9,19H,10-16H2,1H3
InChIKeyRHNXTDHNOXEIMH-UHFFFAOYSA-N
MW391.90 g/mol
LogP3.64
Rot. Bonds9

About 4-[(4-chlorophenyl)methyl]-2-[[2-(2-methoxyethoxy)phenoxy]methyl]morpholine

4-[(4-chlorophenyl)methyl]-2-[[2-(2-methoxyethoxy)phenoxy]methyl]morpholine (PubChem CID 11280787) has the molecular formula C21H26ClNO4 and a molecular weight of 391.90 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-2-[[2-(2-methoxyethoxy)phenoxy]methyl]morpholine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-2-[[2-(2-methoxyethoxy)phenoxy]methyl]morpholine
PubChem CID11280787
Molecular FormulaC21H26ClNO4
Molecular Weight391.90 g/mol
Exact Mass391.16
IUPAC Name4-[(4-chlorophenyl)methyl]-2-[[2-(2-methoxyethoxy)phenoxy]methyl]morpholine
SMILESCOCCOc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C21H26ClNO4/c1-24-12-13-26-20-4-2-3-5-21(20)27-16-19-15-23(10-11-25-19)14-17-6-8-18(22)9-7-17/h2-9,19H,10-16H2,1H3
InChIKeyRHNXTDHNOXEIMH-UHFFFAOYSA-N
XLogP3.64
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(4-chlorophenyl)methyl]-2-[[2-(2-methoxyethoxy)phenoxy]methyl]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-[(4-chlorophenyl)methyl]-2-[[2-(2-methoxyethoxy)phenoxy]methyl]morpholine?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-2-[[2-(2-methoxyethoxy)phenoxy]methyl]morpholine (CID 11280787) is 4-[(4-chlorophenyl)methyl]-2-[[2-(2-methoxyethoxy)phenoxy]methyl]morpholine.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-2-[[2-(2-methoxyethoxy)phenoxy]methyl]morpholine?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-2-[[2-(2-methoxyethoxy)phenoxy]methyl]morpholine is COCCOc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-2-[[2-(2-methoxyethoxy)phenoxy]methyl]morpholine?
The InChIKey is RHNXTDHNOXEIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO4/c1-24-12-13-26-20-4-2-3-5-21(20)27-16-19-15-23(10-11-25-19)14-17-6-8-18(22)9-7-17/h2-9,19H,10-16H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-2-[[2-(2-methoxyethoxy)phenoxy]methyl]morpholine?
4-[(4-chlorophenyl)methyl]-2-[[2-(2-methoxyethoxy)phenoxy]methyl]morpholine has a molecular weight of 391.90 g/mol, XLogP of 3.64, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-2-[[2-(2-methoxyethoxy)phenoxy]methyl]morpholine is sourced from PubChem (CID 11280787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).