N-benzyl-1-diethoxyphosphoryl-1-phenylethanamine

C19H26NO3P — CID 11198822

IUPACN-benzyl-1-diethoxyphosphoryl-1-phenylethanamine
SMILESCCOP(=O)(OCC)C(C)(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H26NO3P/c1-4-22-24(21,23-5-2)19(3,18-14-10-7-11-15-18)20-16-17-12-8-6-9-13-17/h6-15,20H,4-5,16H2,1-3H3
InChIKeyPQWYDSHIXWOBEO-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.92
Rot. Bonds9

About N-benzyl-1-diethoxyphosphoryl-1-phenylethanamine

N-benzyl-1-diethoxyphosphoryl-1-phenylethanamine (PubChem CID 11198822) has the molecular formula C19H26NO3P and a molecular weight of 347.40 g/mol. Its IUPAC name is N-benzyl-1-diethoxyphosphoryl-1-phenylethanamine.

Molecular Properties

Compound NameN-benzyl-1-diethoxyphosphoryl-1-phenylethanamine
PubChem CID11198822
Molecular FormulaC19H26NO3P
Molecular Weight347.40 g/mol
Exact Mass347.17
IUPAC NameN-benzyl-1-diethoxyphosphoryl-1-phenylethanamine
SMILESCCOP(=O)(OCC)C(C)(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H26NO3P/c1-4-22-24(21,23-5-2)19(3,18-14-10-7-11-15-18)20-16-17-12-8-6-9-13-17/h6-15,20H,4-5,16H2,1-3H3
InChIKeyPQWYDSHIXWOBEO-UHFFFAOYSA-N
XLogP4.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.92
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-phenylethanamine?
The IUPAC name of N-benzyl-1-diethoxyphosphoryl-1-phenylethanamine (CID 11198822) is N-benzyl-1-diethoxyphosphoryl-1-phenylethanamine.
What is the SMILES notation for N-benzyl-1-diethoxyphosphoryl-1-phenylethanamine?
The canonical SMILES for N-benzyl-1-diethoxyphosphoryl-1-phenylethanamine is CCOP(=O)(OCC)C(C)(NCc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-1-diethoxyphosphoryl-1-phenylethanamine?
The InChIKey is PQWYDSHIXWOBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26NO3P/c1-4-22-24(21,23-5-2)19(3,18-14-10-7-11-15-18)20-16-17-12-8-6-9-13-17/h6-15,20H,4-5,16H2,1-3H3.
What are the key properties of N-benzyl-1-diethoxyphosphoryl-1-phenylethanamine?
N-benzyl-1-diethoxyphosphoryl-1-phenylethanamine has a molecular weight of 347.40 g/mol, XLogP of 4.92, 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-phenylethanamine is sourced from PubChem (CID 11198822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).