[8-[2-(dimethylamino)ethyl]naphthalen-1-yl] dihydrogen phosphate

C14H18NO4P — CID 178091436

IUPAC[8-[2-(dimethylamino)ethyl]naphthalen-1-yl] dihydrogen phosphate
SMILESCN(C)CCc1cccc2cccc(OP(=O)(O)O)c12
InChIInChI=1S/C14H18NO4P/c1-15(2)10-9-12-6-3-5-11-7-4-8-13(14(11)12)19-20(16,17)18/h3-8H,9-10H2,1-2H3,(H2,16,17,18)
InChIKeyWUMKWFUOLYVEFL-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.42
Rot. Bonds5

About [8-[2-(dimethylamino)ethyl]naphthalen-1-yl] dihydrogen phosphate

[8-[2-(dimethylamino)ethyl]naphthalen-1-yl] dihydrogen phosphate (PubChem CID 178091436) has the molecular formula C14H18NO4P and a molecular weight of 295.28 g/mol. Its IUPAC name is [8-[2-(dimethylamino)ethyl]naphthalen-1-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[8-[2-(dimethylamino)ethyl]naphthalen-1-yl] dihydrogen phosphate
PubChem CID178091436
Molecular FormulaC14H18NO4P
Molecular Weight295.28 g/mol
Exact Mass295.10
IUPAC Name[8-[2-(dimethylamino)ethyl]naphthalen-1-yl] dihydrogen phosphate
SMILESCN(C)CCc1cccc2cccc(OP(=O)(O)O)c12
InChIInChI=1S/C14H18NO4P/c1-15(2)10-9-12-6-3-5-11-7-4-8-13(14(11)12)19-20(16,17)18/h3-8H,9-10H2,1-2H3,(H2,16,17,18)
InChIKeyWUMKWFUOLYVEFL-UHFFFAOYSA-N
XLogP2.42
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [8-[2-(dimethylamino)ethyl]naphthalen-1-yl] dihydrogen phosphate?
The IUPAC name of [8-[2-(dimethylamino)ethyl]naphthalen-1-yl] dihydrogen phosphate (CID 178091436) is [8-[2-(dimethylamino)ethyl]naphthalen-1-yl] dihydrogen phosphate.
What is the SMILES notation for [8-[2-(dimethylamino)ethyl]naphthalen-1-yl] dihydrogen phosphate?
The canonical SMILES for [8-[2-(dimethylamino)ethyl]naphthalen-1-yl] dihydrogen phosphate is CN(C)CCc1cccc2cccc(OP(=O)(O)O)c12.
What is the InChIKey of [8-[2-(dimethylamino)ethyl]naphthalen-1-yl] dihydrogen phosphate?
The InChIKey is WUMKWFUOLYVEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18NO4P/c1-15(2)10-9-12-6-3-5-11-7-4-8-13(14(11)12)19-20(16,17)18/h3-8H,9-10H2,1-2H3,(H2,16,17,18).
What are the key properties of [8-[2-(dimethylamino)ethyl]naphthalen-1-yl] dihydrogen phosphate?
[8-[2-(dimethylamino)ethyl]naphthalen-1-yl] dihydrogen phosphate has a molecular weight of 295.28 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[2-(dimethylamino)ethyl]naphthalen-1-yl] dihydrogen phosphate is sourced from PubChem (CID 178091436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).