2,5-dimethyl-N-[methyl(phenoxy)phosphoryl]aniline

C15H18NO2P — CID 785590

IUPAC2,5-dimethyl-N-[methyl(phenoxy)phosphoryl]aniline
SMILESCc1ccc(C)c(NP(C)(=O)Oc2ccccc2)c1
InChIInChI=1S/C15H18NO2P/c1-12-9-10-13(2)15(11-12)16-19(3,17)18-14-7-5-4-6-8-14/h4-11H,1-3H3,(H,16,17)
InChIKeyLEZYQJFVPBGRQO-UHFFFAOYSA-N
MW275.29 g/mol
LogP4.62
Rot. Bonds4

About 2,5-dimethyl-N-[methyl(phenoxy)phosphoryl]aniline

2,5-dimethyl-N-[methyl(phenoxy)phosphoryl]aniline (PubChem CID 785590) has the molecular formula C15H18NO2P and a molecular weight of 275.29 g/mol. Its IUPAC name is 2,5-dimethyl-N-[methyl(phenoxy)phosphoryl]aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-[methyl(phenoxy)phosphoryl]aniline
PubChem CID785590
Molecular FormulaC15H18NO2P
Molecular Weight275.29 g/mol
Exact Mass275.11
IUPAC Name2,5-dimethyl-N-[methyl(phenoxy)phosphoryl]aniline
SMILESCc1ccc(C)c(NP(C)(=O)Oc2ccccc2)c1
InChIInChI=1S/C15H18NO2P/c1-12-9-10-13(2)15(11-12)16-19(3,17)18-14-7-5-4-6-8-14/h4-11H,1-3H3,(H,16,17)
InChIKeyLEZYQJFVPBGRQO-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-N-[methyl(phenoxy)phosphoryl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[methyl(phenoxy)phosphoryl]aniline?
The IUPAC name of 2,5-dimethyl-N-[methyl(phenoxy)phosphoryl]aniline (CID 785590) is 2,5-dimethyl-N-[methyl(phenoxy)phosphoryl]aniline.
What is the SMILES notation for 2,5-dimethyl-N-[methyl(phenoxy)phosphoryl]aniline?
The canonical SMILES for 2,5-dimethyl-N-[methyl(phenoxy)phosphoryl]aniline is Cc1ccc(C)c(NP(C)(=O)Oc2ccccc2)c1.
What is the InChIKey of 2,5-dimethyl-N-[methyl(phenoxy)phosphoryl]aniline?
The InChIKey is LEZYQJFVPBGRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO2P/c1-12-9-10-13(2)15(11-12)16-19(3,17)18-14-7-5-4-6-8-14/h4-11H,1-3H3,(H,16,17).
What are the key properties of 2,5-dimethyl-N-[methyl(phenoxy)phosphoryl]aniline?
2,5-dimethyl-N-[methyl(phenoxy)phosphoryl]aniline has a molecular weight of 275.29 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[methyl(phenoxy)phosphoryl]aniline is sourced from PubChem (CID 785590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).