diphenylphosphorylmethyl-diethyl-methylazanium iodide

C18H25INOP — CID 44889918

IUPACdiphenylphosphorylmethyl-diethyl-methylazanium iodide
SMILESCC[N+](C)(CC)CP(=O)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C18H25NOP.HI/c1-4-19(3,5-2)16-21(20,17-12-8-6-9-13-17)18-14-10-7-11-15-18;/h6-15H,4-5,16H2,1-3H3;1H/q+1;/p-1
InChIKeyPOBOBJQTPFVAGT-UHFFFAOYSA-M
MW429.28 g/mol
LogP0.45
Rot. Bonds6

About diphenylphosphorylmethyl-diethyl-methylazanium iodide

diphenylphosphorylmethyl-diethyl-methylazanium iodide (PubChem CID 44889918) has the molecular formula C18H25INOP and a molecular weight of 429.28 g/mol. Its IUPAC name is diphenylphosphorylmethyl-diethyl-methylazanium iodide.

Molecular Properties

Compound Namediphenylphosphorylmethyl-diethyl-methylazanium iodide
PubChem CID44889918
Molecular FormulaC18H25INOP
Molecular Weight429.28 g/mol
Exact Mass429.07
IUPAC Namediphenylphosphorylmethyl-diethyl-methylazanium iodide
SMILESCC[N+](C)(CC)CP(=O)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C18H25NOP.HI/c1-4-19(3,5-2)16-21(20,17-12-8-6-9-13-17)18-14-10-7-11-15-18;/h6-15H,4-5,16H2,1-3H3;1H/q+1;/p-1
InChIKeyPOBOBJQTPFVAGT-UHFFFAOYSA-M
XLogP0.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.28
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
1,3-bis[ethyl(phenyl)phosphoryl]benzene
CID 59816903
1-(diphenylphosphorylmethyl)-4-ethylbenzene
CID 160537726
[2-ethoxyethyl(phenyl)phosphoryl]benzene
CID 2304634
phenol;triethyl(methyl)azanium
CID 159672401
[(2-diethylphosphoryl-2-methylpropyl)-phenylphosphoryl]benzene
CID 1378145
1-(diphenylphosphorylmethyl)-2,3,4,5,6-pentamethylbenzene
CID 2776719
[ethyl(fluoro)phosphoryl]benzene
CID 23415746
1-naphthalen-1-ylnaphthalene;phosphoric acid;triethyl(methyl)azanium
CID 174870866
2-diphenylphosphorylethyl(ethoxy)phosphinic acid
CID 102209255
[2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene
CID 15362204
benzenesulfonate;triethyl(methyl)azanium
CID 139909989

Frequently Asked Questions

What is the IUPAC name of diphenylphosphorylmethyl-diethyl-methylazanium iodide?
The IUPAC name of diphenylphosphorylmethyl-diethyl-methylazanium iodide (CID 44889918) is diphenylphosphorylmethyl-diethyl-methylazanium iodide.
What is the SMILES notation for diphenylphosphorylmethyl-diethyl-methylazanium iodide?
The canonical SMILES for diphenylphosphorylmethyl-diethyl-methylazanium iodide is CC[N+](C)(CC)CP(=O)(c1ccccc1)c1ccccc1.[I-].
What is the InChIKey of diphenylphosphorylmethyl-diethyl-methylazanium iodide?
The InChIKey is POBOBJQTPFVAGT-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H25NOP.HI/c1-4-19(3,5-2)16-21(20,17-12-8-6-9-13-17)18-14-10-7-11-15-18;/h6-15H,4-5,16H2,1-3H3;1H/q+1;/p-1.
What are the key properties of diphenylphosphorylmethyl-diethyl-methylazanium iodide?
diphenylphosphorylmethyl-diethyl-methylazanium iodide has a molecular weight of 429.28 g/mol, XLogP of 0.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphorylmethyl-diethyl-methylazanium iodide is sourced from PubChem (CID 44889918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).