[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

C16H18NO2P — CID 68512342

IUPAC[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(N)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C16H18NO2P/c1-11-9-12(2)15(13(3)10-11)16(18)20(17,19)14-7-5-4-6-8-14/h4-10H,1-3H3,(H2,17,19)
InChIKeyGTZQCORLDLZOFU-UHFFFAOYSA-N
MW287.30 g/mol
LogP3.31
Rot. Bonds3

About [amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 68512342) has the molecular formula C16H18NO2P and a molecular weight of 287.30 g/mol. Its IUPAC name is [amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
PubChem CID68512342
Molecular FormulaC16H18NO2P
Molecular Weight287.30 g/mol
Exact Mass287.11
IUPAC Name[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(N)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C16H18NO2P/c1-11-9-12(2)15(13(3)10-11)16(18)20(17,19)14-7-5-4-6-8-14/h4-10H,1-3H3,(H2,17,19)
InChIKeyGTZQCORLDLZOFU-UHFFFAOYSA-N
XLogP3.31
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate
CID 23690966
[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone
CID 21343895
CID 157152357
CID 157152357
[(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 155797932
bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone
CID 162462409
[(3-deuterio-2,4,6-trimethylbenzoyl)-phenylphosphoryl]-(3-deuterio-2,4,6-trimethylphenyl)methanone
CID 175769024
1-[bis(aziridin-1-yl)phosphoryl]aziridine;diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone
CID 22373905
[phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 91322259
[(4-methylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 18983511
[(2,4-dimethylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 18983505
[phenyl-[2,4,6-trimethyl-3-[[2,4,6-trimethyl-3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methyl]benzoyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 123284449

Frequently Asked Questions

What is the IUPAC name of [amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (CID 68512342) is [amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)P(N)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of [amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is GTZQCORLDLZOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18NO2P/c1-11-9-12(2)15(13(3)10-11)16(18)20(17,19)14-7-5-4-6-8-14/h4-10H,1-3H3,(H2,17,19).
What are the key properties of [amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 287.30 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 68512342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).