N-benzyl-1-diethoxyphosphoryl-1-phenylmethanamine

C18H24NO3P — CID 11045862

IUPACN-benzyl-1-diethoxyphosphoryl-1-phenylmethanamine
SMILESCCOP(=O)(OCC)C(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H24NO3P/c1-3-21-23(20,22-4-2)18(17-13-9-6-10-14-17)19-15-16-11-7-5-8-12-16/h5-14,18-19H,3-4,15H2,1-2H3
InChIKeyBQSCXYUJYYPMDN-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.74
Rot. Bonds9

About N-benzyl-1-diethoxyphosphoryl-1-phenylmethanamine

N-benzyl-1-diethoxyphosphoryl-1-phenylmethanamine (PubChem CID 11045862) has the molecular formula C18H24NO3P and a molecular weight of 333.37 g/mol. Its IUPAC name is N-benzyl-1-diethoxyphosphoryl-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-1-diethoxyphosphoryl-1-phenylmethanamine
PubChem CID11045862
Molecular FormulaC18H24NO3P
Molecular Weight333.37 g/mol
Exact Mass333.15
IUPAC NameN-benzyl-1-diethoxyphosphoryl-1-phenylmethanamine
SMILESCCOP(=O)(OCC)C(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H24NO3P/c1-3-21-23(20,22-4-2)18(17-13-9-6-10-14-17)19-15-16-11-7-5-8-12-16/h5-14,18-19H,3-4,15H2,1-2H3
InChIKeyBQSCXYUJYYPMDN-UHFFFAOYSA-N
XLogP4.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-diethoxyphosphoryl-1-phenylmethanamine?
The IUPAC name of N-benzyl-1-diethoxyphosphoryl-1-phenylmethanamine (CID 11045862) is N-benzyl-1-diethoxyphosphoryl-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-1-diethoxyphosphoryl-1-phenylmethanamine?
The canonical SMILES for N-benzyl-1-diethoxyphosphoryl-1-phenylmethanamine is CCOP(=O)(OCC)C(NCc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-1-diethoxyphosphoryl-1-phenylmethanamine?
The InChIKey is BQSCXYUJYYPMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NO3P/c1-3-21-23(20,22-4-2)18(17-13-9-6-10-14-17)19-15-16-11-7-5-8-12-16/h5-14,18-19H,3-4,15H2,1-2H3.
What are the key properties of N-benzyl-1-diethoxyphosphoryl-1-phenylmethanamine?
N-benzyl-1-diethoxyphosphoryl-1-phenylmethanamine has a molecular weight of 333.37 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-diethoxyphosphoryl-1-phenylmethanamine is sourced from PubChem (CID 11045862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).