4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitrophenoxy)methyl]morpholine

C19H21ClN2O5 — CID 11417962

IUPAC4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitrophenoxy)methyl]morpholine
SMILESCOc1ccc([N+](=O)[O-])cc1OCC1CN(Cc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C19H21ClN2O5/c1-25-18-7-6-16(22(23)24)10-19(18)27-13-17-12-21(8-9-26-17)11-14-2-4-15(20)5-3-14/h2-7,10,17H,8-9,11-13H2,1H3
InChIKeySNCPQBKESZHNCX-UHFFFAOYSA-N
MW392.84 g/mol
LogP3.54
Rot. Bonds7

About 4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitrophenoxy)methyl]morpholine

4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitrophenoxy)methyl]morpholine (PubChem CID 11417962) has the molecular formula C19H21ClN2O5 and a molecular weight of 392.84 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitrophenoxy)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitrophenoxy)methyl]morpholine
PubChem CID11417962
Molecular FormulaC19H21ClN2O5
Molecular Weight392.84 g/mol
Exact Mass392.11
IUPAC Name4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitrophenoxy)methyl]morpholine
SMILESCOc1ccc([N+](=O)[O-])cc1OCC1CN(Cc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C19H21ClN2O5/c1-25-18-7-6-16(22(23)24)10-19(18)27-13-17-12-21(8-9-26-17)11-14-2-4-15(20)5-3-14/h2-7,10,17H,8-9,11-13H2,1H3
InChIKeySNCPQBKESZHNCX-UHFFFAOYSA-N
XLogP3.54
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitrophenoxy)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-methoxy-5-nitrophenoxy)methyl]morpholine?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitrophenoxy)methyl]morpholine (CID 11417962) is 4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitrophenoxy)methyl]morpholine.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitrophenoxy)methyl]morpholine?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitrophenoxy)methyl]morpholine is COc1ccc([N+](=O)[O-])cc1OCC1CN(Cc2ccc(Cl)cc2)CCO1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitrophenoxy)methyl]morpholine?
The InChIKey is SNCPQBKESZHNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5/c1-25-18-7-6-16(22(23)24)10-19(18)27-13-17-12-21(8-9-26-17)11-14-2-4-15(20)5-3-14/h2-7,10,17H,8-9,11-13H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitrophenoxy)methyl]morpholine?
4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitrophenoxy)methyl]morpholine has a molecular weight of 392.84 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitrophenoxy)methyl]morpholine is sourced from PubChem (CID 11417962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).