(N-methylanilino)phosphanium

C7H11NP+ — CID 163691673

IUPAC(N-methylanilino)phosphanium
SMILESCN([PH3+])c1ccccc1
InChIInChI=1S/C7H10NP/c1-8(9)7-5-3-2-4-6-7/h2-6H,9H2,1H3/p+1
InChIKeyOOPXNXSNPPXLOC-UHFFFAOYSA-O
MW140.15 g/mol
LogP1.65
Rot. Bonds1

About (N-methylanilino)phosphanium

(N-methylanilino)phosphanium (PubChem CID 163691673) has the molecular formula C7H11NP+ and a molecular weight of 140.15 g/mol. Its IUPAC name is (N-methylanilino)phosphanium.

Molecular Properties

Compound Name(N-methylanilino)phosphanium
PubChem CID163691673
Molecular FormulaC7H11NP+
Molecular Weight140.15 g/mol
Exact Mass140.06
IUPAC Name(N-methylanilino)phosphanium
SMILESCN([PH3+])c1ccccc1
InChIInChI=1S/C7H10NP/c1-8(9)7-5-3-2-4-6-7/h2-6H,9H2,1H3/p+1
InChIKeyOOPXNXSNPPXLOC-UHFFFAOYSA-O
XLogP1.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (N-methylanilino)phosphanium?
The IUPAC name of (N-methylanilino)phosphanium (CID 163691673) is (N-methylanilino)phosphanium.
What is the SMILES notation for (N-methylanilino)phosphanium?
The canonical SMILES for (N-methylanilino)phosphanium is CN([PH3+])c1ccccc1.
What is the InChIKey of (N-methylanilino)phosphanium?
The InChIKey is OOPXNXSNPPXLOC-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10NP/c1-8(9)7-5-3-2-4-6-7/h2-6H,9H2,1H3/p+1.
What are the key properties of (N-methylanilino)phosphanium?
(N-methylanilino)phosphanium has a molecular weight of 140.15 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (N-methylanilino)phosphanium is sourced from PubChem (CID 163691673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).