diphenylphosphinate;(4-methylphenyl)methylazanium

C20H22NO2P — CID 139062444

IUPACdiphenylphosphinate;(4-methylphenyl)methylazanium
SMILESCc1ccc(C[NH3+])cc1.O=P([O-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H11O2P.C8H11N/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-7-2-4-8(6-9)5-3-7/h1-10H,(H,13,14);2-5H,6,9H2,1H3
InChIKeyFVIUIMNAWONKFE-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.01
Rot. Bonds3

About diphenylphosphinate;(4-methylphenyl)methylazanium

diphenylphosphinate;(4-methylphenyl)methylazanium (PubChem CID 139062444) has the molecular formula C20H22NO2P and a molecular weight of 339.38 g/mol. Its IUPAC name is diphenylphosphinate;(4-methylphenyl)methylazanium.

Molecular Properties

Compound Namediphenylphosphinate;(4-methylphenyl)methylazanium
PubChem CID139062444
Molecular FormulaC20H22NO2P
Molecular Weight339.38 g/mol
Exact Mass339.14
IUPAC Namediphenylphosphinate;(4-methylphenyl)methylazanium
SMILESCc1ccc(C[NH3+])cc1.O=P([O-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H11O2P.C8H11N/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-7-2-4-8(6-9)5-3-7/h1-10H,(H,13,14);2-5H,6,9H2,1H3
InChIKeyFVIUIMNAWONKFE-UHFFFAOYSA-N
XLogP2.01
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.01
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

(S)-1-(2-(Diphenylphosphino)phenyl)ethanamine
CID 57514668
(E,1R)-N-diphenylphosphoryl-3-methyl-1-phenylhept-2-en-1-amine
CID 5461338
(2-(diphenylphosphino)phenyl)MethanaMine
CID 11119846
Benzyl[tert-butyl(phenyl)phosphoryl]amine
CID 833072
(2E)-2-(cyclohexylmethylidene)-N-diphenylphosphoryl-1-phenylbutan-1-amine
CID 5461314
Bis[(benzylamino)methyl]phosphinic Acid
CID 791683
(1R)-N-diphenylphosphoryl-1-phenylethanamine
CID 10615740
P,P-Diphenyl-N-(1-phenylethyl)phosphinic amide
CID 376265
AC1Mdmfl
CID 2839277
Amino(phenyl)methyl(methyl)phosphinic acid
CID 382237
(R)-1-(2-(Diphenylphosphino)phenyl)ethanamine
CID 71463645
(E,1R)-N-diphenylphosphoryl-2-propyl-1-[4-(trifluoromethyl)phenyl]hex-2-en-1-amine
CID 44592591

Frequently Asked Questions

What is the IUPAC name of diphenylphosphinate;(4-methylphenyl)methylazanium?
The IUPAC name of diphenylphosphinate;(4-methylphenyl)methylazanium (CID 139062444) is diphenylphosphinate;(4-methylphenyl)methylazanium.
What is the SMILES notation for diphenylphosphinate;(4-methylphenyl)methylazanium?
The canonical SMILES for diphenylphosphinate;(4-methylphenyl)methylazanium is Cc1ccc(C[NH3+])cc1.O=P([O-])(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylphosphinate;(4-methylphenyl)methylazanium?
The InChIKey is FVIUIMNAWONKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O2P.C8H11N/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-7-2-4-8(6-9)5-3-7/h1-10H,(H,13,14);2-5H,6,9H2,1H3.
What are the key properties of diphenylphosphinate;(4-methylphenyl)methylazanium?
diphenylphosphinate;(4-methylphenyl)methylazanium has a molecular weight of 339.38 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphinate;(4-methylphenyl)methylazanium is sourced from PubChem (CID 139062444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).