2-(N-methylanilino)ethyl-triphenylphosphanium

C27H27NP+ — CID 71322750

IUPAC2-(N-methylanilino)ethyl-triphenylphosphanium
SMILESCN(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27NP/c1-28(24-14-6-2-7-15-24)22-23-29(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21H,22-23H2,1H3/q+1
InChIKeyOBMIULBSSGOIKW-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.12
Rot. Bonds7

About 2-(N-methylanilino)ethyl-triphenylphosphanium

2-(N-methylanilino)ethyl-triphenylphosphanium (PubChem CID 71322750) has the molecular formula C27H27NP+ and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-(N-methylanilino)ethyl-triphenylphosphanium.

Molecular Properties

Compound Name2-(N-methylanilino)ethyl-triphenylphosphanium
PubChem CID71322750
Molecular FormulaC27H27NP+
Molecular Weight396.49 g/mol
Exact Mass396.19
IUPAC Name2-(N-methylanilino)ethyl-triphenylphosphanium
SMILESCN(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27NP/c1-28(24-14-6-2-7-15-24)22-23-29(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21H,22-23H2,1H3/q+1
InChIKeyOBMIULBSSGOIKW-UHFFFAOYSA-N
XLogP5.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.12
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

[4-[2-hydroxyethyl(methyl)amino]phenyl]methyl-triphenylphosphanium
CID 58916021
carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
triphenyl(propyl)phosphanium;hydrochloride
CID 118516578
bis(2-(dimethylamino)ethyl-triphenylphosphanium) diacetate
CID 173362420
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
CID 177320801
bis(2-[benzyl(methyl)amino]ethyl-triphenylphosphanium) diacetate
CID 173362409
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol
CID 62617951
1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol
CID 62643881
(N-methylanilino)-triphenylphosphanium
CID 2828348
N-(4-bromohexyl)-N-methylaniline
CID 56992251

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)ethyl-triphenylphosphanium?
The IUPAC name of 2-(N-methylanilino)ethyl-triphenylphosphanium (CID 71322750) is 2-(N-methylanilino)ethyl-triphenylphosphanium.
What is the SMILES notation for 2-(N-methylanilino)ethyl-triphenylphosphanium?
The canonical SMILES for 2-(N-methylanilino)ethyl-triphenylphosphanium is CN(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(N-methylanilino)ethyl-triphenylphosphanium?
The InChIKey is OBMIULBSSGOIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NP/c1-28(24-14-6-2-7-15-24)22-23-29(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21H,22-23H2,1H3/q+1.
What are the key properties of 2-(N-methylanilino)ethyl-triphenylphosphanium?
2-(N-methylanilino)ethyl-triphenylphosphanium has a molecular weight of 396.49 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)ethyl-triphenylphosphanium is sourced from PubChem (CID 71322750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).