[1-(dimethylamino)-2-hydroxyethyl]-triphenylphosphanium

C22H25NOP+ — CID 87069841

IUPAC[1-(dimethylamino)-2-hydroxyethyl]-triphenylphosphanium
SMILESCN(C)C(CO)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NOP/c1-23(2)22(18-24)25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22,24H,18H2,1-2H3/q+1
InChIKeyFKOFKQMRURRCJS-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.86
Rot. Bonds6

About [1-(dimethylamino)-2-hydroxyethyl]-triphenylphosphanium

[1-(dimethylamino)-2-hydroxyethyl]-triphenylphosphanium (PubChem CID 87069841) has the molecular formula C22H25NOP+ and a molecular weight of 350.42 g/mol. Its IUPAC name is [1-(dimethylamino)-2-hydroxyethyl]-triphenylphosphanium.

Molecular Properties

Compound Name[1-(dimethylamino)-2-hydroxyethyl]-triphenylphosphanium
PubChem CID87069841
Molecular FormulaC22H25NOP+
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name[1-(dimethylamino)-2-hydroxyethyl]-triphenylphosphanium
SMILESCN(C)C(CO)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NOP/c1-23(2)22(18-24)25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22,24H,18H2,1-2H3/q+1
InChIKeyFKOFKQMRURRCJS-UHFFFAOYSA-N
XLogP2.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-2-hydroxyethyl]-triphenylphosphanium?
The IUPAC name of [1-(dimethylamino)-2-hydroxyethyl]-triphenylphosphanium (CID 87069841) is [1-(dimethylamino)-2-hydroxyethyl]-triphenylphosphanium.
What is the SMILES notation for [1-(dimethylamino)-2-hydroxyethyl]-triphenylphosphanium?
The canonical SMILES for [1-(dimethylamino)-2-hydroxyethyl]-triphenylphosphanium is CN(C)C(CO)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-(dimethylamino)-2-hydroxyethyl]-triphenylphosphanium?
The InChIKey is FKOFKQMRURRCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NOP/c1-23(2)22(18-24)25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22,24H,18H2,1-2H3/q+1.
What are the key properties of [1-(dimethylamino)-2-hydroxyethyl]-triphenylphosphanium?
[1-(dimethylamino)-2-hydroxyethyl]-triphenylphosphanium has a molecular weight of 350.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-2-hydroxyethyl]-triphenylphosphanium is sourced from PubChem (CID 87069841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).