(4-methylanilino)-(2-methylprop-2-enyl)-diphenylphosphanium

C23H25NP+ — CID 11293221

IUPAC(4-methylanilino)-(2-methylprop-2-enyl)-diphenylphosphanium
SMILESC=C(C)C[P+](Nc1ccc(C)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25NP/c1-19(2)18-25(22-10-6-4-7-11-22,23-12-8-5-9-13-23)24-21-16-14-20(3)15-17-21/h4-17,24H,1,18H2,2-3H3/q+1
InChIKeyXQCNIISZARKVOW-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.57
Rot. Bonds6

About (4-methylanilino)-(2-methylprop-2-enyl)-diphenylphosphanium

(4-methylanilino)-(2-methylprop-2-enyl)-diphenylphosphanium (PubChem CID 11293221) has the molecular formula C23H25NP+ and a molecular weight of 346.43 g/mol. Its IUPAC name is (4-methylanilino)-(2-methylprop-2-enyl)-diphenylphosphanium.

Molecular Properties

Compound Name(4-methylanilino)-(2-methylprop-2-enyl)-diphenylphosphanium
PubChem CID11293221
Molecular FormulaC23H25NP+
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name(4-methylanilino)-(2-methylprop-2-enyl)-diphenylphosphanium
SMILESC=C(C)C[P+](Nc1ccc(C)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25NP/c1-19(2)18-25(22-10-6-4-7-11-22,23-12-8-5-9-13-23)24-21-16-14-20(3)15-17-21/h4-17,24H,1,18H2,2-3H3/q+1
InChIKeyXQCNIISZARKVOW-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methylanilino)-(2-methylprop-2-enyl)-diphenylphosphanium?
The IUPAC name of (4-methylanilino)-(2-methylprop-2-enyl)-diphenylphosphanium (CID 11293221) is (4-methylanilino)-(2-methylprop-2-enyl)-diphenylphosphanium.
What is the SMILES notation for (4-methylanilino)-(2-methylprop-2-enyl)-diphenylphosphanium?
The canonical SMILES for (4-methylanilino)-(2-methylprop-2-enyl)-diphenylphosphanium is C=C(C)C[P+](Nc1ccc(C)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4-methylanilino)-(2-methylprop-2-enyl)-diphenylphosphanium?
The InChIKey is XQCNIISZARKVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NP/c1-19(2)18-25(22-10-6-4-7-11-22,23-12-8-5-9-13-23)24-21-16-14-20(3)15-17-21/h4-17,24H,1,18H2,2-3H3/q+1.
What are the key properties of (4-methylanilino)-(2-methylprop-2-enyl)-diphenylphosphanium?
(4-methylanilino)-(2-methylprop-2-enyl)-diphenylphosphanium has a molecular weight of 346.43 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylanilino)-(2-methylprop-2-enyl)-diphenylphosphanium is sourced from PubChem (CID 11293221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).