tris(diethylamino)-(2-methoxyphenyl)phosphanium

C19H37N3OP+ — CID 3425418

IUPACtris(diethylamino)-(2-methoxyphenyl)phosphanium
SMILESCCN(CC)[P+](c1ccccc1OC)(N(CC)CC)N(CC)CC
InChIInChI=1S/C19H37N3OP/c1-8-20(9-2)24(21(10-3)11-4,22(12-5)13-6)19-17-15-14-16-18(19)23-7/h14-17H,8-13H2,1-7H3/q+1
InChIKeyRIHRWCOUAJOQDJ-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.11
Rot. Bonds11

About tris(diethylamino)-(2-methoxyphenyl)phosphanium

tris(diethylamino)-(2-methoxyphenyl)phosphanium (PubChem CID 3425418) has the molecular formula C19H37N3OP+ and a molecular weight of 354.50 g/mol. Its IUPAC name is tris(diethylamino)-(2-methoxyphenyl)phosphanium.

Molecular Properties

Compound Nametris(diethylamino)-(2-methoxyphenyl)phosphanium
PubChem CID3425418
Molecular FormulaC19H37N3OP+
Molecular Weight354.50 g/mol
Exact Mass354.27
IUPAC Nametris(diethylamino)-(2-methoxyphenyl)phosphanium
SMILESCCN(CC)[P+](c1ccccc1OC)(N(CC)CC)N(CC)CC
InChIInChI=1S/C19H37N3OP/c1-8-20(9-2)24(21(10-3)11-4,22(12-5)13-6)19-17-15-14-16-18(19)23-7/h14-17H,8-13H2,1-7H3/q+1
InChIKeyRIHRWCOUAJOQDJ-UHFFFAOYSA-N
XLogP4.11
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(diethylamino)-(2-methoxyphenyl)phosphanium?
The IUPAC name of tris(diethylamino)-(2-methoxyphenyl)phosphanium (CID 3425418) is tris(diethylamino)-(2-methoxyphenyl)phosphanium.
What is the SMILES notation for tris(diethylamino)-(2-methoxyphenyl)phosphanium?
The canonical SMILES for tris(diethylamino)-(2-methoxyphenyl)phosphanium is CCN(CC)[P+](c1ccccc1OC)(N(CC)CC)N(CC)CC.
What is the InChIKey of tris(diethylamino)-(2-methoxyphenyl)phosphanium?
The InChIKey is RIHRWCOUAJOQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3OP/c1-8-20(9-2)24(21(10-3)11-4,22(12-5)13-6)19-17-15-14-16-18(19)23-7/h14-17H,8-13H2,1-7H3/q+1.
What are the key properties of tris(diethylamino)-(2-methoxyphenyl)phosphanium?
tris(diethylamino)-(2-methoxyphenyl)phosphanium has a molecular weight of 354.50 g/mol, XLogP of 4.11, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(diethylamino)-(2-methoxyphenyl)phosphanium is sourced from PubChem (CID 3425418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).