N-(diethoxyphosphorylmethyl)-4-methoxy-N-methylaniline

C13H22NO4P — CID 102299987

IUPACN-(diethoxyphosphorylmethyl)-4-methoxy-N-methylaniline
SMILESCCOP(=O)(CN(C)c1ccc(OC)cc1)OCC
InChIInChI=1S/C13H22NO4P/c1-5-17-19(15,18-6-2)11-14(3)12-7-9-13(16-4)10-8-12/h7-10H,5-6,11H2,1-4H3
InChIKeyOXVXSOOYGANGCZ-UHFFFAOYSA-N
MW287.30 g/mol
LogP3.36
Rot. Bonds8

About N-(diethoxyphosphorylmethyl)-4-methoxy-N-methylaniline

N-(diethoxyphosphorylmethyl)-4-methoxy-N-methylaniline (PubChem CID 102299987) has the molecular formula C13H22NO4P and a molecular weight of 287.30 g/mol. Its IUPAC name is N-(diethoxyphosphorylmethyl)-4-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-(diethoxyphosphorylmethyl)-4-methoxy-N-methylaniline
PubChem CID102299987
Molecular FormulaC13H22NO4P
Molecular Weight287.30 g/mol
Exact Mass287.13
IUPAC NameN-(diethoxyphosphorylmethyl)-4-methoxy-N-methylaniline
SMILESCCOP(=O)(CN(C)c1ccc(OC)cc1)OCC
InChIInChI=1S/C13H22NO4P/c1-5-17-19(15,18-6-2)11-14(3)12-7-9-13(16-4)10-8-12/h7-10H,5-6,11H2,1-4H3
InChIKeyOXVXSOOYGANGCZ-UHFFFAOYSA-N
XLogP3.36
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diethoxyphosphorylmethyl)-4-methoxy-N-methylaniline?
The IUPAC name of N-(diethoxyphosphorylmethyl)-4-methoxy-N-methylaniline (CID 102299987) is N-(diethoxyphosphorylmethyl)-4-methoxy-N-methylaniline.
What is the SMILES notation for N-(diethoxyphosphorylmethyl)-4-methoxy-N-methylaniline?
The canonical SMILES for N-(diethoxyphosphorylmethyl)-4-methoxy-N-methylaniline is CCOP(=O)(CN(C)c1ccc(OC)cc1)OCC.
What is the InChIKey of N-(diethoxyphosphorylmethyl)-4-methoxy-N-methylaniline?
The InChIKey is OXVXSOOYGANGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22NO4P/c1-5-17-19(15,18-6-2)11-14(3)12-7-9-13(16-4)10-8-12/h7-10H,5-6,11H2,1-4H3.
What are the key properties of N-(diethoxyphosphorylmethyl)-4-methoxy-N-methylaniline?
N-(diethoxyphosphorylmethyl)-4-methoxy-N-methylaniline has a molecular weight of 287.30 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethoxyphosphorylmethyl)-4-methoxy-N-methylaniline is sourced from PubChem (CID 102299987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).