[4-[2-hydroxyethyl(methyl)amino]phenyl]methyl-triphenylphosphanium

C28H29NOP+ — CID 58916021

IUPAC[4-[2-hydroxyethyl(methyl)amino]phenyl]methyl-triphenylphosphanium
SMILESCN(CCO)c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H29NOP/c1-29(21-22-30)25-19-17-24(18-20-25)23-31(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-20,30H,21-23H2,1H3/q+1
InChIKeySREWBDHZHDESJI-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.61
Rot. Bonds8

About [4-[2-hydroxyethyl(methyl)amino]phenyl]methyl-triphenylphosphanium

[4-[2-hydroxyethyl(methyl)amino]phenyl]methyl-triphenylphosphanium (PubChem CID 58916021) has the molecular formula C28H29NOP+ and a molecular weight of 426.52 g/mol. Its IUPAC name is [4-[2-hydroxyethyl(methyl)amino]phenyl]methyl-triphenylphosphanium.

Molecular Properties

Compound Name[4-[2-hydroxyethyl(methyl)amino]phenyl]methyl-triphenylphosphanium
PubChem CID58916021
Molecular FormulaC28H29NOP+
Molecular Weight426.52 g/mol
Exact Mass426.20
IUPAC Name[4-[2-hydroxyethyl(methyl)amino]phenyl]methyl-triphenylphosphanium
SMILESCN(CCO)c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H29NOP/c1-29(21-22-30)25-19-17-24(18-20-25)23-31(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-20,30H,21-23H2,1H3/q+1
InChIKeySREWBDHZHDESJI-UHFFFAOYSA-N
XLogP4.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(N-methylanilino)ethyl-triphenylphosphanium
CID 71322750
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
benzyl(triphenyl)phosphanium;N,N-diphenylaniline
CID 174624401
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
[4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium
CID 90305713
[4-(4-hydroxyphenyl)phenyl]methyl-triphenylphosphanium
CID 132542561
(4-chlorophenyl)methyl-triphenylphosphanium perchlorate
CID 71389118
benzyl-[4-(2-hydroxypropyl)phenyl]-diphenylphosphanium bromide
CID 18000285
2-[N-methyl-4-(4-methylphenyl)anilino]ethanol
CID 134375637
bis[4-(dimethylamino)phenyl]methanol;2-[4-[bis[4-(dimethylamino)phenyl]methyl]-N-methylanilino]ethanol;methanol;2-(N-methylanilino)ethanol
CID 162145026
N-hydroxy-4-(triphenylphosphaniumylmethyl)benzeneamine oxide
CID 21126561

Frequently Asked Questions

What is the IUPAC name of [4-[2-hydroxyethyl(methyl)amino]phenyl]methyl-triphenylphosphanium?
The IUPAC name of [4-[2-hydroxyethyl(methyl)amino]phenyl]methyl-triphenylphosphanium (CID 58916021) is [4-[2-hydroxyethyl(methyl)amino]phenyl]methyl-triphenylphosphanium.
What is the SMILES notation for [4-[2-hydroxyethyl(methyl)amino]phenyl]methyl-triphenylphosphanium?
The canonical SMILES for [4-[2-hydroxyethyl(methyl)amino]phenyl]methyl-triphenylphosphanium is CN(CCO)c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-[2-hydroxyethyl(methyl)amino]phenyl]methyl-triphenylphosphanium?
The InChIKey is SREWBDHZHDESJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NOP/c1-29(21-22-30)25-19-17-24(18-20-25)23-31(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-20,30H,21-23H2,1H3/q+1.
What are the key properties of [4-[2-hydroxyethyl(methyl)amino]phenyl]methyl-triphenylphosphanium?
[4-[2-hydroxyethyl(methyl)amino]phenyl]methyl-triphenylphosphanium has a molecular weight of 426.52 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-hydroxyethyl(methyl)amino]phenyl]methyl-triphenylphosphanium is sourced from PubChem (CID 58916021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).