ethyl 4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate

C13H15Cl2NO2 — CID 13318377

IUPACethyl 4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESCCOC(=O)C1Cc2cc(Cl)c(Cl)cc2C(N)C1
InChIInChI=1S/C13H15Cl2NO2/c1-2-18-13(17)8-3-7-4-10(14)11(15)6-9(7)12(16)5-8/h4,6,8,12H,2-3,5,16H2,1H3
InChIKeyOJGSGPLRZMLCRR-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.12
Rot. Bonds2

About ethyl 4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate

ethyl 4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate (PubChem CID 13318377) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is ethyl 4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate
PubChem CID13318377
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Nameethyl 4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESCCOC(=O)C1Cc2cc(Cl)c(Cl)cc2C(N)C1
InChIInChI=1S/C13H15Cl2NO2/c1-2-18-13(17)8-3-7-4-10(14)11(15)6-9(7)12(16)5-8/h4,6,8,12H,2-3,5,16H2,1H3
InChIKeyOJGSGPLRZMLCRR-UHFFFAOYSA-N
XLogP3.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of ethyl 4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate (CID 13318377) is ethyl 4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for ethyl 4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate is CCOC(=O)C1Cc2cc(Cl)c(Cl)cc2C(N)C1.
What is the InChIKey of ethyl 4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The InChIKey is OJGSGPLRZMLCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-2-18-13(17)8-3-7-4-10(14)11(15)6-9(7)12(16)5-8/h4,6,8,12H,2-3,5,16H2,1H3.
What are the key properties of ethyl 4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
ethyl 4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate has a molecular weight of 288.17 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6,7-dichloro-1,2,3,4-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 13318377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).