N-[[ethoxy(methyl)phosphoryl]methyl]-N-methylaniline

C11H18NO2P — CID 139617571

IUPACN-[[ethoxy(methyl)phosphoryl]methyl]-N-methylaniline
SMILESCCOP(C)(=O)CN(C)c1ccccc1
InChIInChI=1S/C11H18NO2P/c1-4-14-15(3,13)10-12(2)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
InChIKeyZCUFAJSVOAFRTB-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.02
Rot. Bonds5

About N-[[ethoxy(methyl)phosphoryl]methyl]-N-methylaniline

N-[[ethoxy(methyl)phosphoryl]methyl]-N-methylaniline (PubChem CID 139617571) has the molecular formula C11H18NO2P and a molecular weight of 227.24 g/mol. Its IUPAC name is N-[[ethoxy(methyl)phosphoryl]methyl]-N-methylaniline.

Molecular Properties

Compound NameN-[[ethoxy(methyl)phosphoryl]methyl]-N-methylaniline
PubChem CID139617571
Molecular FormulaC11H18NO2P
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC NameN-[[ethoxy(methyl)phosphoryl]methyl]-N-methylaniline
SMILESCCOP(C)(=O)CN(C)c1ccccc1
InChIInChI=1S/C11H18NO2P/c1-4-14-15(3,13)10-12(2)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
InChIKeyZCUFAJSVOAFRTB-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[ethoxy(methyl)phosphoryl]ethylbenzene
CID 141455877
N-[(E)-5,5-bis(diethoxyphosphoryl)pent-2-enyl]-N-methylaniline
CID 101272794
N-(diethoxyphosphorylmethyl)-4-methoxy-N-methylaniline
CID 102299987
4-(2-diethoxyphosphorylethyl)-N,N-diphenylaniline
CID 170420991
(E)-3-[ethoxy(phenyl)phosphoryl]-N,N-dimethylprop-2-en-1-amine
CID 102144029
3-benzyl-1-(diethoxyphosphorylmethyl)-1-methylurea
CID 10781532
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
3-(N-diethoxyphosphorylanilino)butan-2-one
CID 101459765
N-diethoxyphosphoryl-1,1,1-trifluoro-N-phenylmethanesulfonamide
CID 10498785
ethene;N-methyl-N-phenylaniline
CID 144541479
N-methoxy-N-methyl-2-(N-methylanilino)acetamide
CID 121220639
carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947

Frequently Asked Questions

What is the IUPAC name of N-[[ethoxy(methyl)phosphoryl]methyl]-N-methylaniline?
The IUPAC name of N-[[ethoxy(methyl)phosphoryl]methyl]-N-methylaniline (CID 139617571) is N-[[ethoxy(methyl)phosphoryl]methyl]-N-methylaniline.
What is the SMILES notation for N-[[ethoxy(methyl)phosphoryl]methyl]-N-methylaniline?
The canonical SMILES for N-[[ethoxy(methyl)phosphoryl]methyl]-N-methylaniline is CCOP(C)(=O)CN(C)c1ccccc1.
What is the InChIKey of N-[[ethoxy(methyl)phosphoryl]methyl]-N-methylaniline?
The InChIKey is ZCUFAJSVOAFRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO2P/c1-4-14-15(3,13)10-12(2)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3.
What are the key properties of N-[[ethoxy(methyl)phosphoryl]methyl]-N-methylaniline?
N-[[ethoxy(methyl)phosphoryl]methyl]-N-methylaniline has a molecular weight of 227.24 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[ethoxy(methyl)phosphoryl]methyl]-N-methylaniline is sourced from PubChem (CID 139617571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).