[4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dimethyl phosphate

C22H23N2O4P — CID 154068458

IUPAC[4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dimethyl phosphate
SMILES[H]/N=C(\N)C(c1ccccc1)(c1ccccc1)c1ccc(OP(=O)(OC)OC)cc1
InChIInChI=1S/C22H23N2O4P/c1-26-29(25,27-2)28-20-15-13-19(14-16-20)22(21(23)24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16H,1-2H3,(H3,23,24)
InChIKeyKXTMSWJERRQHKK-UHFFFAOYSA-N
MW410.41 g/mol
LogP4.74
Rot. Bonds8

About [4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dimethyl phosphate

[4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dimethyl phosphate (PubChem CID 154068458) has the molecular formula C22H23N2O4P and a molecular weight of 410.41 g/mol. Its IUPAC name is [4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dimethyl phosphate.

Molecular Properties

Compound Name[4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dimethyl phosphate
PubChem CID154068458
Molecular FormulaC22H23N2O4P
Molecular Weight410.41 g/mol
Exact Mass410.14
IUPAC Name[4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dimethyl phosphate
SMILES[H]/N=C(\N)C(c1ccccc1)(c1ccccc1)c1ccc(OP(=O)(OC)OC)cc1
InChIInChI=1S/C22H23N2O4P/c1-26-29(25,27-2)28-20-15-13-19(14-16-20)22(21(23)24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16H,1-2H3,(H3,23,24)
InChIKeyKXTMSWJERRQHKK-UHFFFAOYSA-N
XLogP4.74
TPSA94.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dimethyl phosphate 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

[4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dihydrogen phosphate
CID 68675993
dimethyl phenyl phosphate;ethane;trimethyl phosphate
CID 90867053
[4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate
CID 123731391
2,2,2-tris(4-fluorophenyl)ethanimidamide
CID 68675497
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
(4-tritylphenyl) dihydrogen phosphate
CID 154267652
tris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate
CID 139911356
2-(4-methoxyphenyl)-2-(4-methylphenyl)-2-phenylacetamide
CID 121405860
guanidine;tris(4-methylphenyl) phosphate
CID 174666198
dimethyl (4-methylsulfanylphenyl) phosphate
CID 18621
ethenyl methyl phenyl phosphate
CID 11593721
acetic acid;tert-butyl N-(1-amino-1-imino-2-phenylpropan-2-yl)carbamate
CID 155819932

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dimethyl phosphate?
The IUPAC name of [4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dimethyl phosphate (CID 154068458) is [4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dimethyl phosphate.
What is the SMILES notation for [4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dimethyl phosphate?
The canonical SMILES for [4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dimethyl phosphate is [H]/N=C(\N)C(c1ccccc1)(c1ccccc1)c1ccc(OP(=O)(OC)OC)cc1.
What is the InChIKey of [4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dimethyl phosphate?
The InChIKey is KXTMSWJERRQHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N2O4P/c1-26-29(25,27-2)28-20-15-13-19(14-16-20)22(21(23)24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16H,1-2H3,(H3,23,24).
What are the key properties of [4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dimethyl phosphate?
[4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dimethyl phosphate has a molecular weight of 410.41 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dimethyl phosphate is sourced from PubChem (CID 154068458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).