2-(dimethylamino)ethyl anthracene-9-carboxylate

C19H19NO2 — CID 71404240

IUPAC2-(dimethylamino)ethyl anthracene-9-carboxylate
SMILESCN(C)CCOC(=O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H19NO2/c1-20(2)11-12-22-19(21)18-16-9-5-3-7-14(16)13-15-8-4-6-10-17(15)18/h3-10,13H,11-12H2,1-2H3
InChIKeyGVCONYDDUMOQGA-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.71
Rot. Bonds4

About 2-(dimethylamino)ethyl anthracene-9-carboxylate

2-(dimethylamino)ethyl anthracene-9-carboxylate (PubChem CID 71404240) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl anthracene-9-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl anthracene-9-carboxylate
PubChem CID71404240
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2-(dimethylamino)ethyl anthracene-9-carboxylate
SMILESCN(C)CCOC(=O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H19NO2/c1-20(2)11-12-22-19(21)18-16-9-5-3-7-14(16)13-15-8-4-6-10-17(15)18/h3-10,13H,11-12H2,1-2H3
InChIKeyGVCONYDDUMOQGA-UHFFFAOYSA-N
XLogP3.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-propoxyethyl anthracene-9-carboxylate
CID 86199632
4-bromobutyl anthracene-9-carboxylate
CID 71345742
anthracen-9-ylmethyl anthracene-9-carboxylate
CID 59653644
[2-[di(propan-2-yl)amino]-2-oxoethyl] anthracene-9-carboxylate
CID 2511499
propyl 3-(diethylamino)anthracene-9-carboxylate
CID 135564260
2-(dimethylamino)ethyl benzoate;hydroiodide
CID 2752377
phenacyl anthracene-9-carboxylate
CID 3297262
[3-(2,2-dimethylbutanoyloxy)-3-methylbutyl] anthracene-9-carboxylate
CID 59482739
2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl anthracene-9-carboxylate
CID 90992353
propan-2-yl anthracene-9-carboxylate
CID 12646743
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] anthracene-9-carboxylate
CID 8022169
10-[2,3-bis[10-(anthracene-9-carbonyloxy)decoxy]propoxy]decyl anthracene-9-carboxylate
CID 18767006

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl anthracene-9-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl anthracene-9-carboxylate (CID 71404240) is 2-(dimethylamino)ethyl anthracene-9-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl anthracene-9-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl anthracene-9-carboxylate is CN(C)CCOC(=O)c1c2ccccc2cc2ccccc12.
What is the InChIKey of 2-(dimethylamino)ethyl anthracene-9-carboxylate?
The InChIKey is GVCONYDDUMOQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-20(2)11-12-22-19(21)18-16-9-5-3-7-14(16)13-15-8-4-6-10-17(15)18/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl anthracene-9-carboxylate?
2-(dimethylamino)ethyl anthracene-9-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl anthracene-9-carboxylate is sourced from PubChem (CID 71404240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).