2-[[[ethyl(methyl)amino]-phenoxyphosphanyl]methoxy]ethanamine

C12H21N2O2P — CID 146222837

IUPAC2-[[[ethyl(methyl)amino]-phenoxyphosphanyl]methoxy]ethanamine
SMILESCCN(C)P(COCCN)Oc1ccccc1
InChIInChI=1S/C12H21N2O2P/c1-3-14(2)17(11-15-10-9-13)16-12-7-5-4-6-8-12/h4-8H,3,9-11,13H2,1-2H3
InChIKeyJOHWXLSUTINAHT-UHFFFAOYSA-N
MW256.29 g/mol
LogP2.26
Rot. Bonds8

About 2-[[[ethyl(methyl)amino]-phenoxyphosphanyl]methoxy]ethanamine

2-[[[ethyl(methyl)amino]-phenoxyphosphanyl]methoxy]ethanamine (PubChem CID 146222837) has the molecular formula C12H21N2O2P and a molecular weight of 256.29 g/mol. Its IUPAC name is 2-[[[ethyl(methyl)amino]-phenoxyphosphanyl]methoxy]ethanamine.

Molecular Properties

Compound Name2-[[[ethyl(methyl)amino]-phenoxyphosphanyl]methoxy]ethanamine
PubChem CID146222837
Molecular FormulaC12H21N2O2P
Molecular Weight256.29 g/mol
Exact Mass256.13
IUPAC Name2-[[[ethyl(methyl)amino]-phenoxyphosphanyl]methoxy]ethanamine
SMILESCCN(C)P(COCCN)Oc1ccccc1
InChIInChI=1S/C12H21N2O2P/c1-3-14(2)17(11-15-10-9-13)16-12-7-5-4-6-8-12/h4-8H,3,9-11,13H2,1-2H3
InChIKeyJOHWXLSUTINAHT-UHFFFAOYSA-N
XLogP2.26
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[phenoxy(3-phenylmethoxypropoxy)phosphanyl]methoxy]ethanamine
CID 135174025
ethane;2-phenylmethoxyethanamine
CID 142016503
pentyl N-phenoxycarbamate
CID 175308591
2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138496429
diphenyl hydrogen phosphite;ethanol
CID 159674253
N-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine
CID 79479672
2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224
azanylidyne-phenoxy-propoxy-λ5-phosphane
CID 19862340
2-(2-aminoethoxy)ethyl-triphenylphosphanium iodide
CID 90424402
diphenoxyphosphanyloxymethyl diphenyl phosphite
CID 171611986
N,N-diphenoxyethanamine
CID 88599470
N,N-diethylethanamine;2-phenylethanamine
CID 67440073

Frequently Asked Questions

What is the IUPAC name of 2-[[[ethyl(methyl)amino]-phenoxyphosphanyl]methoxy]ethanamine?
The IUPAC name of 2-[[[ethyl(methyl)amino]-phenoxyphosphanyl]methoxy]ethanamine (CID 146222837) is 2-[[[ethyl(methyl)amino]-phenoxyphosphanyl]methoxy]ethanamine.
What is the SMILES notation for 2-[[[ethyl(methyl)amino]-phenoxyphosphanyl]methoxy]ethanamine?
The canonical SMILES for 2-[[[ethyl(methyl)amino]-phenoxyphosphanyl]methoxy]ethanamine is CCN(C)P(COCCN)Oc1ccccc1.
What is the InChIKey of 2-[[[ethyl(methyl)amino]-phenoxyphosphanyl]methoxy]ethanamine?
The InChIKey is JOHWXLSUTINAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N2O2P/c1-3-14(2)17(11-15-10-9-13)16-12-7-5-4-6-8-12/h4-8H,3,9-11,13H2,1-2H3.
What are the key properties of 2-[[[ethyl(methyl)amino]-phenoxyphosphanyl]methoxy]ethanamine?
2-[[[ethyl(methyl)amino]-phenoxyphosphanyl]methoxy]ethanamine has a molecular weight of 256.29 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[ethyl(methyl)amino]-phenoxyphosphanyl]methoxy]ethanamine is sourced from PubChem (CID 146222837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).