N-[[methyl(phenylmethoxy)phosphoryl]methyl]-1,1,1-triphenylmethanamine

C28H28NO2P — CID 11590316

IUPACN-[[methyl(phenylmethoxy)phosphoryl]methyl]-1,1,1-triphenylmethanamine
SMILESCP(=O)(CNC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C28H28NO2P/c1-32(30,31-22-24-14-6-2-7-15-24)23-29-28(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21,29H,22-23H2,1H3
InChIKeyVIEZWHMMMFVOOW-UHFFFAOYSA-N
MW441.51 g/mol
LogP6.65
Rot. Bonds9

About N-[[methyl(phenylmethoxy)phosphoryl]methyl]-1,1,1-triphenylmethanamine

N-[[methyl(phenylmethoxy)phosphoryl]methyl]-1,1,1-triphenylmethanamine (PubChem CID 11590316) has the molecular formula C28H28NO2P and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[[methyl(phenylmethoxy)phosphoryl]methyl]-1,1,1-triphenylmethanamine.

Molecular Properties

Compound NameN-[[methyl(phenylmethoxy)phosphoryl]methyl]-1,1,1-triphenylmethanamine
PubChem CID11590316
Molecular FormulaC28H28NO2P
Molecular Weight441.51 g/mol
Exact Mass441.19
IUPAC NameN-[[methyl(phenylmethoxy)phosphoryl]methyl]-1,1,1-triphenylmethanamine
SMILESCP(=O)(CNC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C28H28NO2P/c1-32(30,31-22-24-14-6-2-7-15-24)23-29-28(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21,29H,22-23H2,1H3
InChIKeyVIEZWHMMMFVOOW-UHFFFAOYSA-N
XLogP6.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.51
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[methyl(phenylmethoxy)phosphoryl]methyl]-1,1,1-triphenylmethanamine 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

N-[[ethoxy(phenyl)phosphoryl]methyl]-1,1,1-triphenylmethanamine
CID 10789278
N-[[2-chloroethoxy(phenyl)phosphoryl]methyl]-1,1,1-triphenylmethanamine
CID 101520719
(2S,3S,5S,6R)-3,5,6-triphenyl-1,4,2lambda5-oxazaphosphinane 2-oxide
CID 134847235
N-benzyl-N-bis(phenylmethoxy)phosphorylethanamine
CID 134907355
(2S,3S,5S,6R)-3,5,6-triphenyl-2-[(E)-2-phenylethenyl]-1,4,2lambda5-oxazaphosphinane 2-oxide
CID 134934926
(2S,4S,5R)-4-methyl-5-phenyl-2-prop-2-enyl-3-trityl-1,3,2lambda5-oxazaphospholidine 2-oxide
CID 134978077
(2R,4S,5R)-4-methyl-5-phenyl-2-prop-2-enyl-3-trityl-1,3,2lambda5-oxazaphospholidine 2-oxide
CID 134995009
N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-phenylmethanamine
CID 135004441
(5s)-5-((2-(Diphenylphosphino)benzyl)amino)-4,4-diphenyl-1,3,2-dioxaphosphorinane 2-oxide
CID 176453272
[[(2-Fluorophenyl)methylamino]-phenylmethyl]-phenylmethoxyphosphinic acid
CID 101994683
N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-(4-fluorophenyl)methanamine
CID 102518496
N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 102518499

Frequently Asked Questions

What is the IUPAC name of N-[[methyl(phenylmethoxy)phosphoryl]methyl]-1,1,1-triphenylmethanamine?
The IUPAC name of N-[[methyl(phenylmethoxy)phosphoryl]methyl]-1,1,1-triphenylmethanamine (CID 11590316) is N-[[methyl(phenylmethoxy)phosphoryl]methyl]-1,1,1-triphenylmethanamine.
What is the SMILES notation for N-[[methyl(phenylmethoxy)phosphoryl]methyl]-1,1,1-triphenylmethanamine?
The canonical SMILES for N-[[methyl(phenylmethoxy)phosphoryl]methyl]-1,1,1-triphenylmethanamine is CP(=O)(CNC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of N-[[methyl(phenylmethoxy)phosphoryl]methyl]-1,1,1-triphenylmethanamine?
The InChIKey is VIEZWHMMMFVOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28NO2P/c1-32(30,31-22-24-14-6-2-7-15-24)23-29-28(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21,29H,22-23H2,1H3.
What are the key properties of N-[[methyl(phenylmethoxy)phosphoryl]methyl]-1,1,1-triphenylmethanamine?
N-[[methyl(phenylmethoxy)phosphoryl]methyl]-1,1,1-triphenylmethanamine has a molecular weight of 441.51 g/mol, XLogP of 6.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[methyl(phenylmethoxy)phosphoryl]methyl]-1,1,1-triphenylmethanamine is sourced from PubChem (CID 11590316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).