butyl(2-diphenylphosphanylethyl)azanium chloride

C18H25ClNP — CID 11427235

IUPACbutyl(2-diphenylphosphanylethyl)azanium chloride
SMILESCCCC[NH2+]CCP(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C18H24NP.ClH/c1-2-3-14-19-15-16-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18;/h4-13,19H,2-3,14-16H2,1H3;1H
InChIKeyFUPDZSNIYWHCGB-UHFFFAOYSA-N
MW321.83 g/mol
LogP-0.51
Rot. Bonds8

About butyl(2-diphenylphosphanylethyl)azanium chloride

butyl(2-diphenylphosphanylethyl)azanium chloride (PubChem CID 11427235) has the molecular formula C18H25ClNP and a molecular weight of 321.83 g/mol. Its IUPAC name is butyl(2-diphenylphosphanylethyl)azanium chloride.

Molecular Properties

Compound Namebutyl(2-diphenylphosphanylethyl)azanium chloride
PubChem CID11427235
Molecular FormulaC18H25ClNP
Molecular Weight321.83 g/mol
Exact Mass321.14
IUPAC Namebutyl(2-diphenylphosphanylethyl)azanium chloride
SMILESCCCC[NH2+]CCP(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C18H24NP.ClH/c1-2-3-14-19-15-16-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18;/h4-13,19H,2-3,14-16H2,1H3;1H
InChIKeyFUPDZSNIYWHCGB-UHFFFAOYSA-N
XLogP-0.51
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butyl(diphenyl)phosphane;chloroplatinum
CID 175284434
dichloronickel;bis(diphenyl(propyl)phosphane)
CID 87129784
dichloroiron;diphenyl(propyl)phosphane
CID 175149268
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
benzyl(butyl)azanium fluoride
CID 161148971
octadecyl(2-phenylethyl)azanium chloride
CID 21249615
bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
CID 87455708
2,2-dimethylhexyl(diphenyl)phosphane;pentyl(diphenyl)phosphane
CID 143507398
4-dimethylphosphanylbutyl(diphenyl)phosphane
CID 13159123
butyl-methyl-phenylphosphane
CID 14832966
dipentyl(phenyl)phosphane
CID 3085487
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421

Frequently Asked Questions

What is the IUPAC name of butyl(2-diphenylphosphanylethyl)azanium chloride?
The IUPAC name of butyl(2-diphenylphosphanylethyl)azanium chloride (CID 11427235) is butyl(2-diphenylphosphanylethyl)azanium chloride.
What is the SMILES notation for butyl(2-diphenylphosphanylethyl)azanium chloride?
The canonical SMILES for butyl(2-diphenylphosphanylethyl)azanium chloride is CCCC[NH2+]CCP(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of butyl(2-diphenylphosphanylethyl)azanium chloride?
The InChIKey is FUPDZSNIYWHCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NP.ClH/c1-2-3-14-19-15-16-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18;/h4-13,19H,2-3,14-16H2,1H3;1H.
What are the key properties of butyl(2-diphenylphosphanylethyl)azanium chloride?
butyl(2-diphenylphosphanylethyl)azanium chloride has a molecular weight of 321.83 g/mol, XLogP of -0.51, 8 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(2-diphenylphosphanylethyl)azanium chloride is sourced from PubChem (CID 11427235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).