N-[(2-methoxyphenoxy)-methylphosphoryl]-4-methylaniline

C15H18NO3P — CID 651010

IUPACN-[(2-methoxyphenoxy)-methylphosphoryl]-4-methylaniline
SMILESCOc1ccccc1OP(C)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C15H18NO3P/c1-12-8-10-13(11-9-12)16-20(3,17)19-15-7-5-4-6-14(15)18-2/h4-11H,1-3H3,(H,16,17)
InChIKeyMWVRTGQUNKKSTE-UHFFFAOYSA-N
MW291.29 g/mol
LogP4.32
Rot. Bonds5

About N-[(2-methoxyphenoxy)-methylphosphoryl]-4-methylaniline

N-[(2-methoxyphenoxy)-methylphosphoryl]-4-methylaniline (PubChem CID 651010) has the molecular formula C15H18NO3P and a molecular weight of 291.29 g/mol. Its IUPAC name is N-[(2-methoxyphenoxy)-methylphosphoryl]-4-methylaniline.

Molecular Properties

Compound NameN-[(2-methoxyphenoxy)-methylphosphoryl]-4-methylaniline
PubChem CID651010
Molecular FormulaC15H18NO3P
Molecular Weight291.29 g/mol
Exact Mass291.10
IUPAC NameN-[(2-methoxyphenoxy)-methylphosphoryl]-4-methylaniline
SMILESCOc1ccccc1OP(C)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C15H18NO3P/c1-12-8-10-13(11-9-12)16-20(3,17)19-15-7-5-4-6-14(15)18-2/h4-11H,1-3H3,(H,16,17)
InChIKeyMWVRTGQUNKKSTE-UHFFFAOYSA-N
XLogP4.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-methoxyphenoxy)-methylphosphoryl]-4-methylaniline 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 N-[(2-methoxyphenoxy)-methylphosphoryl]-4-methylaniline?
The IUPAC name of N-[(2-methoxyphenoxy)-methylphosphoryl]-4-methylaniline (CID 651010) is N-[(2-methoxyphenoxy)-methylphosphoryl]-4-methylaniline.
What is the SMILES notation for N-[(2-methoxyphenoxy)-methylphosphoryl]-4-methylaniline?
The canonical SMILES for N-[(2-methoxyphenoxy)-methylphosphoryl]-4-methylaniline is COc1ccccc1OP(C)(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-[(2-methoxyphenoxy)-methylphosphoryl]-4-methylaniline?
The InChIKey is MWVRTGQUNKKSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO3P/c1-12-8-10-13(11-9-12)16-20(3,17)19-15-7-5-4-6-14(15)18-2/h4-11H,1-3H3,(H,16,17).
What are the key properties of N-[(2-methoxyphenoxy)-methylphosphoryl]-4-methylaniline?
N-[(2-methoxyphenoxy)-methylphosphoryl]-4-methylaniline has a molecular weight of 291.29 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenoxy)-methylphosphoryl]-4-methylaniline is sourced from PubChem (CID 651010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).