N-benzyl-N-diphenoxyphosphoryl-1-phenylmethanamine

C26H24NO3P — CID 101475155

IUPACN-benzyl-N-diphenoxyphosphoryl-1-phenylmethanamine
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H24NO3P/c28-31(29-25-17-9-3-10-18-25,30-26-19-11-4-12-20-26)27(21-23-13-5-1-6-14-23)22-24-15-7-2-8-16-24/h1-20H,21-22H2
InChIKeyIOOCJHBGHNHHBY-UHFFFAOYSA-N
MW429.46 g/mol
LogP6.95
Rot. Bonds9

About N-benzyl-N-diphenoxyphosphoryl-1-phenylmethanamine

N-benzyl-N-diphenoxyphosphoryl-1-phenylmethanamine (PubChem CID 101475155) has the molecular formula C26H24NO3P and a molecular weight of 429.46 g/mol. Its IUPAC name is N-benzyl-N-diphenoxyphosphoryl-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-diphenoxyphosphoryl-1-phenylmethanamine
PubChem CID101475155
Molecular FormulaC26H24NO3P
Molecular Weight429.46 g/mol
Exact Mass429.15
IUPAC NameN-benzyl-N-diphenoxyphosphoryl-1-phenylmethanamine
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H24NO3P/c28-31(29-25-17-9-3-10-18-25,30-26-19-11-4-12-20-26)27(21-23-13-5-1-6-14-23)22-24-15-7-2-8-16-24/h1-20H,21-22H2
InChIKeyIOOCJHBGHNHHBY-UHFFFAOYSA-N
XLogP6.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.46
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-N-diphenoxyphosphoryl-1-phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diphenyl benzylphosphoramidate
CID 417184
Bis(3-methylphenyl) benzylamidophosphate
CID 1619219
N-diphenoxyphosphoryl-1,1-diphenylmethanamine
CID 1618175
N-bis(4-methylphenoxy)phosphoryl-1-phenylmethanamine
CID 2067460
Ammonium, (phosphinicobis(iminotrimethylene))bis(benzyldimethyl-, dibromide, phenyl ester
CID 29470
Ammonium, (phosphinicobis(iminotrimethylene))bis(benzyldiethyl-, dibromide, p-tolyl ester
CID 29472
Ammonium, (phosphinicobis(iminotrimethylene))bis(benzyldiethyl-, dibromide, phenyl ester
CID 29474
Ammonium, (phosphinicobis(iminotrimethylene))bis(benzyldimethyl-, dibromide, p-tolyl ester
CID 30527
Phosphoramidic acid, N-methyl-N-(alpha-methylphenethyl)-, diphenyl ester
CID 202205
1-(Diphenoxyphosphinyl)-2-[4-(trifluoromethyl)phenyl]aziridine
CID 16079437
N-diphenoxyphosphoryl-1-phenylethanamine
CID 4689320
1-Diphenoxyphosphoryl-2-(3-methylphenyl)aziridine
CID 16081493

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-diphenoxyphosphoryl-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-diphenoxyphosphoryl-1-phenylmethanamine (CID 101475155) is N-benzyl-N-diphenoxyphosphoryl-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-diphenoxyphosphoryl-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-diphenoxyphosphoryl-1-phenylmethanamine is O=P(Oc1ccccc1)(Oc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-diphenoxyphosphoryl-1-phenylmethanamine?
The InChIKey is IOOCJHBGHNHHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24NO3P/c28-31(29-25-17-9-3-10-18-25,30-26-19-11-4-12-20-26)27(21-23-13-5-1-6-14-23)22-24-15-7-2-8-16-24/h1-20H,21-22H2.
What are the key properties of N-benzyl-N-diphenoxyphosphoryl-1-phenylmethanamine?
N-benzyl-N-diphenoxyphosphoryl-1-phenylmethanamine has a molecular weight of 429.46 g/mol, XLogP of 6.95, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-diphenoxyphosphoryl-1-phenylmethanamine is sourced from PubChem (CID 101475155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).