amino-benzyl-diphenylphosphanium;butane

C23H29NP+ — CID 70518785

IUPACamino-benzyl-diphenylphosphanium;butane
SMILESCCCC.N[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NP.C4H10/c20-21(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-17-10-4-1-5-11-17;1-3-4-2/h1-15H,16,20H2;3-4H2,1-2H3/q+1;
InChIKeyRGHBXEUTKLJCQX-UHFFFAOYSA-N
MW350.47 g/mol
LogP5.54
Rot. Bonds5

About amino-benzyl-diphenylphosphanium;butane

amino-benzyl-diphenylphosphanium;butane (PubChem CID 70518785) has the molecular formula C23H29NP+ and a molecular weight of 350.47 g/mol. Its IUPAC name is amino-benzyl-diphenylphosphanium;butane.

Molecular Properties

Compound Nameamino-benzyl-diphenylphosphanium;butane
PubChem CID70518785
Molecular FormulaC23H29NP+
Molecular Weight350.47 g/mol
Exact Mass350.20
IUPAC Nameamino-benzyl-diphenylphosphanium;butane
SMILESCCCC.N[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NP.C4H10/c20-21(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-17-10-4-1-5-11-17;1-3-4-2/h1-15H,16,20H2;3-4H2,1-2H3/q+1;
InChIKeyRGHBXEUTKLJCQX-UHFFFAOYSA-N
XLogP5.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
tribenzyl(ethyl)phosphanium
CID 23415376
benzyl(tripropyl)phosphanium bromide
CID 68744786
benzyl-methyl-dipropylphosphanium
CID 23546516
benzyl-hexyl-diphenylphosphanium chloride
CID 139486895
azane;1-phenylpropan-2-amine
CID 67350534
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
benzyl(trimethyl)phosphanium;hydrobromide
CID 154945301
2-phenylethane-1,1-diamine;dihydrochloride
CID 90190453

Frequently Asked Questions

What is the IUPAC name of amino-benzyl-diphenylphosphanium;butane?
The IUPAC name of amino-benzyl-diphenylphosphanium;butane (CID 70518785) is amino-benzyl-diphenylphosphanium;butane.
What is the SMILES notation for amino-benzyl-diphenylphosphanium;butane?
The canonical SMILES for amino-benzyl-diphenylphosphanium;butane is CCCC.N[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of amino-benzyl-diphenylphosphanium;butane?
The InChIKey is RGHBXEUTKLJCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NP.C4H10/c20-21(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-17-10-4-1-5-11-17;1-3-4-2/h1-15H,16,20H2;3-4H2,1-2H3/q+1;.
What are the key properties of amino-benzyl-diphenylphosphanium;butane?
amino-benzyl-diphenylphosphanium;butane has a molecular weight of 350.47 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for amino-benzyl-diphenylphosphanium;butane is sourced from PubChem (CID 70518785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).