N-[dimethoxyphosphoryl(phenyl)methyl]aniline

C15H18NO3P — CID 602688

IUPACN-[dimethoxyphosphoryl(phenyl)methyl]aniline
SMILESCOP(=O)(OC)C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C15H18NO3P/c1-18-20(17,19-2)15(13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h3-12,15-16H,1-2H3
InChIKeyHXLFNEYNCOMDHY-UHFFFAOYSA-N
MW291.29 g/mol
LogP4.28
Rot. Bonds6

About N-[dimethoxyphosphoryl(phenyl)methyl]aniline

N-[dimethoxyphosphoryl(phenyl)methyl]aniline (PubChem CID 602688) has the molecular formula C15H18NO3P and a molecular weight of 291.29 g/mol. Its IUPAC name is N-[dimethoxyphosphoryl(phenyl)methyl]aniline.

Molecular Properties

Compound NameN-[dimethoxyphosphoryl(phenyl)methyl]aniline
PubChem CID602688
Molecular FormulaC15H18NO3P
Molecular Weight291.29 g/mol
Exact Mass291.10
IUPAC NameN-[dimethoxyphosphoryl(phenyl)methyl]aniline
SMILESCOP(=O)(OC)C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C15H18NO3P/c1-18-20(17,19-2)15(13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h3-12,15-16H,1-2H3
InChIKeyHXLFNEYNCOMDHY-UHFFFAOYSA-N
XLogP4.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 54.28
H-Bond Donors ≤ 51
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 N-[dimethoxyphosphoryl(phenyl)methyl]aniline?
The IUPAC name of N-[dimethoxyphosphoryl(phenyl)methyl]aniline (CID 602688) is N-[dimethoxyphosphoryl(phenyl)methyl]aniline.
What is the SMILES notation for N-[dimethoxyphosphoryl(phenyl)methyl]aniline?
The canonical SMILES for N-[dimethoxyphosphoryl(phenyl)methyl]aniline is COP(=O)(OC)C(Nc1ccccc1)c1ccccc1.
What is the InChIKey of N-[dimethoxyphosphoryl(phenyl)methyl]aniline?
The InChIKey is HXLFNEYNCOMDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO3P/c1-18-20(17,19-2)15(13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h3-12,15-16H,1-2H3.
What are the key properties of N-[dimethoxyphosphoryl(phenyl)methyl]aniline?
N-[dimethoxyphosphoryl(phenyl)methyl]aniline has a molecular weight of 291.29 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethoxyphosphoryl(phenyl)methyl]aniline is sourced from PubChem (CID 602688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).