benzyl-bis(dimethylamino)-phenylphosphanium tetrafluoroborate

C17H24BF4N2P — CID 56841389

IUPACbenzyl-bis(dimethylamino)-phenylphosphanium tetrafluoroborate
SMILESCN(C)[P+](Cc1ccccc1)(c1ccccc1)N(C)C.F[B-](F)(F)F
InChIInChI=1S/C17H24N2P.BF4/c1-18(2)20(19(3)4,17-13-9-6-10-14-17)15-16-11-7-5-8-12-16;2-1(3,4)5/h5-14H,15H2,1-4H3;/q+1;-1
InChIKeyFEMGFNMGHZLGDV-UHFFFAOYSA-N
MW374.17 g/mol
LogP4.78
Rot. Bonds5

About benzyl-bis(dimethylamino)-phenylphosphanium tetrafluoroborate

benzyl-bis(dimethylamino)-phenylphosphanium tetrafluoroborate (PubChem CID 56841389) has the molecular formula C17H24BF4N2P and a molecular weight of 374.17 g/mol. Its IUPAC name is benzyl-bis(dimethylamino)-phenylphosphanium tetrafluoroborate.

Molecular Properties

Compound Namebenzyl-bis(dimethylamino)-phenylphosphanium tetrafluoroborate
PubChem CID56841389
Molecular FormulaC17H24BF4N2P
Molecular Weight374.17 g/mol
Exact Mass374.17
IUPAC Namebenzyl-bis(dimethylamino)-phenylphosphanium tetrafluoroborate
SMILESCN(C)[P+](Cc1ccccc1)(c1ccccc1)N(C)C.F[B-](F)(F)F
InChIInChI=1S/C17H24N2P.BF4/c1-18(2)20(19(3)4,17-13-9-6-10-14-17)15-16-11-7-5-8-12-16;2-1(3,4)5/h5-14H,15H2,1-4H3;/q+1;-1
InChIKeyFEMGFNMGHZLGDV-UHFFFAOYSA-N
XLogP4.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.17
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(1-phenylpropan-2-yloxy)phosphanium tetrafluoroborate
CID 10074044
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
bis(dimethylamino)-diphenylphosphanium
CID 23415226
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
dimethylamino-dimethyl-phenylphosphanium
CID 23415277
benzyl(trimethyl)phosphanium;hydrobromide
CID 154945301
benzyl(trimethyl)phosphanium;hydrochloride
CID 154945285
benzyl(triphenyl)phosphanium;N,N-diphenylaniline
CID 174624401
amino-benzyl-diphenylphosphanium;butane
CID 70518785
(1R)-1-fluoro-2-phenylethanol
CID 163366132

Frequently Asked Questions

What is the IUPAC name of benzyl-bis(dimethylamino)-phenylphosphanium tetrafluoroborate?
The IUPAC name of benzyl-bis(dimethylamino)-phenylphosphanium tetrafluoroborate (CID 56841389) is benzyl-bis(dimethylamino)-phenylphosphanium tetrafluoroborate.
What is the SMILES notation for benzyl-bis(dimethylamino)-phenylphosphanium tetrafluoroborate?
The canonical SMILES for benzyl-bis(dimethylamino)-phenylphosphanium tetrafluoroborate is CN(C)[P+](Cc1ccccc1)(c1ccccc1)N(C)C.F[B-](F)(F)F.
What is the InChIKey of benzyl-bis(dimethylamino)-phenylphosphanium tetrafluoroborate?
The InChIKey is FEMGFNMGHZLGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2P.BF4/c1-18(2)20(19(3)4,17-13-9-6-10-14-17)15-16-11-7-5-8-12-16;2-1(3,4)5/h5-14H,15H2,1-4H3;/q+1;-1.
What are the key properties of benzyl-bis(dimethylamino)-phenylphosphanium tetrafluoroborate?
benzyl-bis(dimethylamino)-phenylphosphanium tetrafluoroborate has a molecular weight of 374.17 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-bis(dimethylamino)-phenylphosphanium tetrafluoroborate is sourced from PubChem (CID 56841389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).