[8-(dimethylamino)naphthalen-1-yl] dimethyl phosphate

C14H18NO4P — CID 71421993

IUPAC[8-(dimethylamino)naphthalen-1-yl] dimethyl phosphate
SMILESCOP(=O)(OC)Oc1cccc2cccc(N(C)C)c12
InChIInChI=1S/C14H18NO4P/c1-15(2)12-9-5-7-11-8-6-10-13(14(11)12)19-20(16,17-3)18-4/h5-10H,1-4H3
InChIKeyGALVQCKHOMPERP-UHFFFAOYSA-N
MW295.28 g/mol
LogP3.69
Rot. Bonds5

About [8-(dimethylamino)naphthalen-1-yl] dimethyl phosphate

[8-(dimethylamino)naphthalen-1-yl] dimethyl phosphate (PubChem CID 71421993) has the molecular formula C14H18NO4P and a molecular weight of 295.28 g/mol. Its IUPAC name is [8-(dimethylamino)naphthalen-1-yl] dimethyl phosphate.

Molecular Properties

Compound Name[8-(dimethylamino)naphthalen-1-yl] dimethyl phosphate
PubChem CID71421993
Molecular FormulaC14H18NO4P
Molecular Weight295.28 g/mol
Exact Mass295.10
IUPAC Name[8-(dimethylamino)naphthalen-1-yl] dimethyl phosphate
SMILESCOP(=O)(OC)Oc1cccc2cccc(N(C)C)c12
InChIInChI=1S/C14H18NO4P/c1-15(2)12-9-5-7-11-8-6-10-13(14(11)12)19-20(16,17-3)18-4/h5-10H,1-4H3
InChIKeyGALVQCKHOMPERP-UHFFFAOYSA-N
XLogP3.69
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(dimethylamino)naphthalen-1-yl] dimethyl phosphate?
The IUPAC name of [8-(dimethylamino)naphthalen-1-yl] dimethyl phosphate (CID 71421993) is [8-(dimethylamino)naphthalen-1-yl] dimethyl phosphate.
What is the SMILES notation for [8-(dimethylamino)naphthalen-1-yl] dimethyl phosphate?
The canonical SMILES for [8-(dimethylamino)naphthalen-1-yl] dimethyl phosphate is COP(=O)(OC)Oc1cccc2cccc(N(C)C)c12.
What is the InChIKey of [8-(dimethylamino)naphthalen-1-yl] dimethyl phosphate?
The InChIKey is GALVQCKHOMPERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18NO4P/c1-15(2)12-9-5-7-11-8-6-10-13(14(11)12)19-20(16,17-3)18-4/h5-10H,1-4H3.
What are the key properties of [8-(dimethylamino)naphthalen-1-yl] dimethyl phosphate?
[8-(dimethylamino)naphthalen-1-yl] dimethyl phosphate has a molecular weight of 295.28 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(dimethylamino)naphthalen-1-yl] dimethyl phosphate is sourced from PubChem (CID 71421993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).