N-ethyl-N-[methyl(phenoxy)phosphoryl]oxyethanamine

C11H18NO3P — CID 152707624

IUPACN-ethyl-N-[methyl(phenoxy)phosphoryl]oxyethanamine
SMILESCCN(CC)OP(C)(=O)Oc1ccccc1
InChIInChI=1S/C11H18NO3P/c1-4-12(5-2)15-16(3,13)14-11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3
InChIKeyZSXQMUSPBOCULB-UHFFFAOYSA-N
MW243.24 g/mol
LogP3.16
Rot. Bonds6

About N-ethyl-N-[methyl(phenoxy)phosphoryl]oxyethanamine

N-ethyl-N-[methyl(phenoxy)phosphoryl]oxyethanamine (PubChem CID 152707624) has the molecular formula C11H18NO3P and a molecular weight of 243.24 g/mol. Its IUPAC name is N-ethyl-N-[methyl(phenoxy)phosphoryl]oxyethanamine.

Molecular Properties

Compound NameN-ethyl-N-[methyl(phenoxy)phosphoryl]oxyethanamine
PubChem CID152707624
Molecular FormulaC11H18NO3P
Molecular Weight243.24 g/mol
Exact Mass243.10
IUPAC NameN-ethyl-N-[methyl(phenoxy)phosphoryl]oxyethanamine
SMILESCCN(CC)OP(C)(=O)Oc1ccccc1
InChIInChI=1S/C11H18NO3P/c1-4-12(5-2)15-16(3,13)14-11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3
InChIKeyZSXQMUSPBOCULB-UHFFFAOYSA-N
XLogP3.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl diethylamino phenyl phosphate
CID 151235255
[methoxy(methyl)phosphoryl]oxybenzene
CID 564592
1,3-bis[[methyl(phenoxy)phosphoryl]oxy]benzene;ethane
CID 160703248
cobalt(2+);methyl(phenoxy)phosphinate
CID 140813109
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
N-methyl-N-[methyl(phenoxy)phosphoryl]methanamine
CID 102289080
[amino(methyl)phosphoryl]oxybenzene
CID 11864135
[chloromethyl(methyl)phosphoryl]oxybenzene
CID 71410923
zinc ethyl(phenoxy)phosphinate
CID 118975861
[methyl-[[methyl(phenoxy)phosphoryl]amino]phosphoryl]oxybenzene
CID 11865181
[1-methoxypropyl(phenoxy)phosphoryl]oxybenzene
CID 89300438
[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[methyl(phenoxy)phosphoryl]oxyethanamine?
The IUPAC name of N-ethyl-N-[methyl(phenoxy)phosphoryl]oxyethanamine (CID 152707624) is N-ethyl-N-[methyl(phenoxy)phosphoryl]oxyethanamine.
What is the SMILES notation for N-ethyl-N-[methyl(phenoxy)phosphoryl]oxyethanamine?
The canonical SMILES for N-ethyl-N-[methyl(phenoxy)phosphoryl]oxyethanamine is CCN(CC)OP(C)(=O)Oc1ccccc1.
What is the InChIKey of N-ethyl-N-[methyl(phenoxy)phosphoryl]oxyethanamine?
The InChIKey is ZSXQMUSPBOCULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO3P/c1-4-12(5-2)15-16(3,13)14-11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3.
What are the key properties of N-ethyl-N-[methyl(phenoxy)phosphoryl]oxyethanamine?
N-ethyl-N-[methyl(phenoxy)phosphoryl]oxyethanamine has a molecular weight of 243.24 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[methyl(phenoxy)phosphoryl]oxyethanamine is sourced from PubChem (CID 152707624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).