(Z)-1-[ethyl(methyl)amino]-2-triphenylphosphaniumylethenolate

C23H24NOP — CID 134876162

IUPAC(Z)-1-[ethyl(methyl)amino]-2-triphenylphosphaniumylethenolate
SMILESCCN(C)/C([O-])=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24NOP/c1-3-24(2)23(25)19-26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3/b23-19-
InChIKeyVPMUMRHOMKWBKX-NMWGTECJSA-N
MW361.43 g/mol
LogP3.09
Rot. Bonds6

About (Z)-1-[ethyl(methyl)amino]-2-triphenylphosphaniumylethenolate

(Z)-1-[ethyl(methyl)amino]-2-triphenylphosphaniumylethenolate (PubChem CID 134876162) has the molecular formula C23H24NOP and a molecular weight of 361.43 g/mol. Its IUPAC name is (Z)-1-[ethyl(methyl)amino]-2-triphenylphosphaniumylethenolate.

Molecular Properties

Compound Name(Z)-1-[ethyl(methyl)amino]-2-triphenylphosphaniumylethenolate
PubChem CID134876162
Molecular FormulaC23H24NOP
Molecular Weight361.43 g/mol
Exact Mass361.16
IUPAC Name(Z)-1-[ethyl(methyl)amino]-2-triphenylphosphaniumylethenolate
SMILESCCN(C)/C([O-])=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24NOP/c1-3-24(2)23(25)19-26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3/b23-19-
InChIKeyVPMUMRHOMKWBKX-NMWGTECJSA-N
XLogP3.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(diphenylphosphoryl)-N,N-diethylethanamine
CID 785453
3-(Diphenylphosphino)-N,N-dimethyl-1-propanamine
CID 120481
3-(Dimethylamino)propyl-triphenylphosphanium;bromide
CID 15982517
3-(Diphenylphosphoryl)-N,N-dimethylpropan-1-amine
CID 120484
Phosphine sulfide, (3-(dimethylamino)propyl)diphenyl-
CID 120485
(3-(Dimethylamino)propyl)triphenylphosphonium bromide hydrobromide
CID 23651404
N-[(diphenylphosphoryl)methyl]-N-ethylethanamine
CID 796655
(2-(Dimethylamino)ethyl)triphenylphosphonium bromide
CID 2724136
Ethanamine, 2-(diphenylphosphinyl)-n,n-dimethyl-
CID 796914
2-(Diphenylphosphanyl)-n,n-dimethylethanamine
CID 273266
Methylamine, N,N-bis(2-diphenylphosphinoethyl)-
CID 604044
Dimethylamino-triphenylphosphine
CID 19035099

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[ethyl(methyl)amino]-2-triphenylphosphaniumylethenolate?
The IUPAC name of (Z)-1-[ethyl(methyl)amino]-2-triphenylphosphaniumylethenolate (CID 134876162) is (Z)-1-[ethyl(methyl)amino]-2-triphenylphosphaniumylethenolate.
What is the SMILES notation for (Z)-1-[ethyl(methyl)amino]-2-triphenylphosphaniumylethenolate?
The canonical SMILES for (Z)-1-[ethyl(methyl)amino]-2-triphenylphosphaniumylethenolate is CCN(C)/C([O-])=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-1-[ethyl(methyl)amino]-2-triphenylphosphaniumylethenolate?
The InChIKey is VPMUMRHOMKWBKX-NMWGTECJSA-N. The full InChI is InChI=1S/C23H24NOP/c1-3-24(2)23(25)19-26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3/b23-19-.
What are the key properties of (Z)-1-[ethyl(methyl)amino]-2-triphenylphosphaniumylethenolate?
(Z)-1-[ethyl(methyl)amino]-2-triphenylphosphaniumylethenolate has a molecular weight of 361.43 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[ethyl(methyl)amino]-2-triphenylphosphaniumylethenolate is sourced from PubChem (CID 134876162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).