4-[[3-methoxy-4-(2-phenoxyethoxy)phenyl]iminomethyl]-N,N-dimethylaniline

C24H26N2O3 — CID 5083444

IUPAC4-[[3-methoxy-4-(2-phenoxyethoxy)phenyl]iminomethyl]-N,N-dimethylaniline
SMILESCOc1cc(/N=C/c2ccc(N(C)C)cc2)ccc1OCCOc1ccccc1
InChIInChI=1S/C24H26N2O3/c1-26(2)21-12-9-19(10-13-21)18-25-20-11-14-23(24(17-20)27-3)29-16-15-28-22-7-5-4-6-8-22/h4-14,17-18H,15-16H2,1-3H3/b25-18+
InChIKeyHKJDKEJMPBIBRG-XIEYBQDHSA-N
MW390.48 g/mol
LogP4.97
Rot. Bonds9

About 4-[[3-methoxy-4-(2-phenoxyethoxy)phenyl]iminomethyl]-N,N-dimethylaniline

4-[[3-methoxy-4-(2-phenoxyethoxy)phenyl]iminomethyl]-N,N-dimethylaniline (PubChem CID 5083444) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-[[3-methoxy-4-(2-phenoxyethoxy)phenyl]iminomethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[3-methoxy-4-(2-phenoxyethoxy)phenyl]iminomethyl]-N,N-dimethylaniline
PubChem CID5083444
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name4-[[3-methoxy-4-(2-phenoxyethoxy)phenyl]iminomethyl]-N,N-dimethylaniline
SMILESCOc1cc(/N=C/c2ccc(N(C)C)cc2)ccc1OCCOc1ccccc1
InChIInChI=1S/C24H26N2O3/c1-26(2)21-12-9-19(10-13-21)18-25-20-11-14-23(24(17-20)27-3)29-16-15-28-22-7-5-4-6-8-22/h4-14,17-18H,15-16H2,1-3H3/b25-18+
InChIKeyHKJDKEJMPBIBRG-XIEYBQDHSA-N
XLogP4.97
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-methoxy-4-(2-phenoxyethoxy)phenyl]iminomethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[3-methoxy-4-(2-phenoxyethoxy)phenyl]iminomethyl]-N,N-dimethylaniline (CID 5083444) is 4-[[3-methoxy-4-(2-phenoxyethoxy)phenyl]iminomethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[3-methoxy-4-(2-phenoxyethoxy)phenyl]iminomethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[3-methoxy-4-(2-phenoxyethoxy)phenyl]iminomethyl]-N,N-dimethylaniline is COc1cc(/N=C/c2ccc(N(C)C)cc2)ccc1OCCOc1ccccc1.
What is the InChIKey of 4-[[3-methoxy-4-(2-phenoxyethoxy)phenyl]iminomethyl]-N,N-dimethylaniline?
The InChIKey is HKJDKEJMPBIBRG-XIEYBQDHSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-26(2)21-12-9-19(10-13-21)18-25-20-11-14-23(24(17-20)27-3)29-16-15-28-22-7-5-4-6-8-22/h4-14,17-18H,15-16H2,1-3H3/b25-18+.
What are the key properties of 4-[[3-methoxy-4-(2-phenoxyethoxy)phenyl]iminomethyl]-N,N-dimethylaniline?
4-[[3-methoxy-4-(2-phenoxyethoxy)phenyl]iminomethyl]-N,N-dimethylaniline has a molecular weight of 390.48 g/mol, XLogP of 4.97, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methoxy-4-(2-phenoxyethoxy)phenyl]iminomethyl]-N,N-dimethylaniline is sourced from PubChem (CID 5083444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).