2-(dimethylamino)ethyl-triphenylphosphanium

C22H25NP+ — CID 2724137

IUPAC2-(dimethylamino)ethyl-triphenylphosphanium
SMILESCN(C)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NP/c1-23(2)18-19-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,18-19H2,1-2H3/q+1
InChIKeyBJBBSNKEOYUITM-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.54
Rot. Bonds6

About 2-(dimethylamino)ethyl-triphenylphosphanium

2-(dimethylamino)ethyl-triphenylphosphanium (PubChem CID 2724137) has the molecular formula C22H25NP+ and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl-triphenylphosphanium.

Molecular Properties

Compound Name2-(dimethylamino)ethyl-triphenylphosphanium
PubChem CID2724137
Molecular FormulaC22H25NP+
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-(dimethylamino)ethyl-triphenylphosphanium
SMILESCN(C)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NP/c1-23(2)18-19-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,18-19H2,1-2H3/q+1
InChIKeyBJBBSNKEOYUITM-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methyltriphenyliphosphonium bromide
CID 74505
Allyltriphenylphosphonium bromide
CID 197740
Butyltriphenylphosphonium bromide
CID 159628
Triphenylmethylphosphonium Bromide
CID 621706
(Cyanomethyl)triphenylphosphonium chloride
CID 197040
Ethyltriphenylphosphonium iodide
CID 78474
Propyltriphenylphosphonium bromide
CID 80374
Triphenylvinylphosphonium bromide
CID 2723893
Phosphonium, hexyltriphenyl-, bromide (1:1)
CID 2724569
(Triphenylphosphoranylidene)acetonitrile
CID 85524
Phosphonium, ethyltriphenyl-, bromide (1:1)
CID 73727
Triphenylmethylphosphonium
CID 74506

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl-triphenylphosphanium?
The IUPAC name of 2-(dimethylamino)ethyl-triphenylphosphanium (CID 2724137) is 2-(dimethylamino)ethyl-triphenylphosphanium.
What is the SMILES notation for 2-(dimethylamino)ethyl-triphenylphosphanium?
The canonical SMILES for 2-(dimethylamino)ethyl-triphenylphosphanium is CN(C)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)ethyl-triphenylphosphanium?
The InChIKey is BJBBSNKEOYUITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NP/c1-23(2)18-19-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,18-19H2,1-2H3/q+1.
What are the key properties of 2-(dimethylamino)ethyl-triphenylphosphanium?
2-(dimethylamino)ethyl-triphenylphosphanium has a molecular weight of 334.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl-triphenylphosphanium is sourced from PubChem (CID 2724137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).