4-(3-diphenylphosphanyloxypropyliminomethyl)-N,N-dimethylaniline

C24H27N2OP — CID 101031441

IUPAC4-(3-diphenylphosphanyloxypropyliminomethyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/CCCOP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H27N2OP/c1-26(2)22-16-14-21(15-17-22)20-25-18-9-19-27-28(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-17,20H,9,18-19H2,1-2H3/b25-20+
InChIKeyLBCNEYCXSQTPEO-LKUDQCMESA-N
MW390.47 g/mol
LogP4.63
Rot. Bonds9

About 4-(3-diphenylphosphanyloxypropyliminomethyl)-N,N-dimethylaniline

4-(3-diphenylphosphanyloxypropyliminomethyl)-N,N-dimethylaniline (PubChem CID 101031441) has the molecular formula C24H27N2OP and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-(3-diphenylphosphanyloxypropyliminomethyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(3-diphenylphosphanyloxypropyliminomethyl)-N,N-dimethylaniline
PubChem CID101031441
Molecular FormulaC24H27N2OP
Molecular Weight390.47 g/mol
Exact Mass390.19
IUPAC Name4-(3-diphenylphosphanyloxypropyliminomethyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/CCCOP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H27N2OP/c1-26(2)22-16-14-21(15-17-22)20-25-18-9-19-27-28(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-17,20H,9,18-19H2,1-2H3/b25-20+
InChIKeyLBCNEYCXSQTPEO-LKUDQCMESA-N
XLogP4.63
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-diphenylphosphanyloxypropyliminomethyl)-N,N-dimethylaniline?
The IUPAC name of 4-(3-diphenylphosphanyloxypropyliminomethyl)-N,N-dimethylaniline (CID 101031441) is 4-(3-diphenylphosphanyloxypropyliminomethyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(3-diphenylphosphanyloxypropyliminomethyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(3-diphenylphosphanyloxypropyliminomethyl)-N,N-dimethylaniline is CN(C)c1ccc(/C=N/CCCOP(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(3-diphenylphosphanyloxypropyliminomethyl)-N,N-dimethylaniline?
The InChIKey is LBCNEYCXSQTPEO-LKUDQCMESA-N. The full InChI is InChI=1S/C24H27N2OP/c1-26(2)22-16-14-21(15-17-22)20-25-18-9-19-27-28(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-17,20H,9,18-19H2,1-2H3/b25-20+.
What are the key properties of 4-(3-diphenylphosphanyloxypropyliminomethyl)-N,N-dimethylaniline?
4-(3-diphenylphosphanyloxypropyliminomethyl)-N,N-dimethylaniline has a molecular weight of 390.47 g/mol, XLogP of 4.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-diphenylphosphanyloxypropyliminomethyl)-N,N-dimethylaniline is sourced from PubChem (CID 101031441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).