1-[2-(dimethylamino)ethoxy-methylphosphanyl]oxypropan-2-ol

C8H20NO3P — CID 143585105

IUPAC1-[2-(dimethylamino)ethoxy-methylphosphanyl]oxypropan-2-ol
SMILESCC(O)COP(C)OCCN(C)C
InChIInChI=1S/C8H20NO3P/c1-8(10)7-12-13(4)11-6-5-9(2)3/h8,10H,5-7H2,1-4H3
InChIKeyGKKPNDRNEYDPMC-UHFFFAOYSA-N
MW209.23 g/mol
LogP0.90
Rot. Bonds7

About 1-[2-(dimethylamino)ethoxy-methylphosphanyl]oxypropan-2-ol

1-[2-(dimethylamino)ethoxy-methylphosphanyl]oxypropan-2-ol (PubChem CID 143585105) has the molecular formula C8H20NO3P and a molecular weight of 209.23 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethoxy-methylphosphanyl]oxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethoxy-methylphosphanyl]oxypropan-2-ol
PubChem CID143585105
Molecular FormulaC8H20NO3P
Molecular Weight209.23 g/mol
Exact Mass209.12
IUPAC Name1-[2-(dimethylamino)ethoxy-methylphosphanyl]oxypropan-2-ol
SMILESCC(O)COP(C)OCCN(C)C
InChIInChI=1S/C8H20NO3P/c1-8(10)7-12-13(4)11-6-5-9(2)3/h8,10H,5-7H2,1-4H3
InChIKeyGKKPNDRNEYDPMC-UHFFFAOYSA-N
XLogP0.90
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)ethyl dihydrogen phosphite
CID 21448901
CID 88825483
CID 88825483
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 159218034
2-(dimethylamino)ethyl 2-hydroxypropanoate
CID 14179203
1-methoxypropan-2-ol chloride
CID 23303898
1-[2-(dimethylamino)ethoxy]propan-2-amine
CID 164578140
4-(dimethylamino)-1-methoxybutan-2-ol
CID 115345876
bis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate
CID 174588921
2-[2-(dimethylamino)ethoxy]-1-(propylamino)ethanol
CID 21463810
(E)-4-[2-(dimethylamino)ethoxy]-4-hydroxybut-2-enoic acid
CID 154635925
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
2-[2-(dimethylamino)ethoxy]ethanol
CID 158737336

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethoxy-methylphosphanyl]oxypropan-2-ol?
The IUPAC name of 1-[2-(dimethylamino)ethoxy-methylphosphanyl]oxypropan-2-ol (CID 143585105) is 1-[2-(dimethylamino)ethoxy-methylphosphanyl]oxypropan-2-ol.
What is the SMILES notation for 1-[2-(dimethylamino)ethoxy-methylphosphanyl]oxypropan-2-ol?
The canonical SMILES for 1-[2-(dimethylamino)ethoxy-methylphosphanyl]oxypropan-2-ol is CC(O)COP(C)OCCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethoxy-methylphosphanyl]oxypropan-2-ol?
The InChIKey is GKKPNDRNEYDPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO3P/c1-8(10)7-12-13(4)11-6-5-9(2)3/h8,10H,5-7H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethoxy-methylphosphanyl]oxypropan-2-ol?
1-[2-(dimethylamino)ethoxy-methylphosphanyl]oxypropan-2-ol has a molecular weight of 209.23 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethoxy-methylphosphanyl]oxypropan-2-ol is sourced from PubChem (CID 143585105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).