2-amino-8-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride

C11H14ClNO2 — CID 19862989

IUPAC2-amino-8-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
SMILESCOc1cccc2c1C(=O)C(N)CC2.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-14-9-4-2-3-7-5-6-8(12)11(13)10(7)9;/h2-4,8H,5-6,12H2,1H3;1H
InChIKeyDFAMCCAGNYLXBF-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.57
Rot. Bonds1

About 2-amino-8-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride

2-amino-8-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride (PubChem CID 19862989) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-amino-8-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-8-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
PubChem CID19862989
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-amino-8-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
SMILESCOc1cccc2c1C(=O)C(N)CC2.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-14-9-4-2-3-7-5-6-8(12)11(13)10(7)9;/h2-4,8H,5-6,12H2,1H3;1H
InChIKeyDFAMCCAGNYLXBF-UHFFFAOYSA-N
XLogP1.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
The IUPAC name of 2-amino-8-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride (CID 19862989) is 2-amino-8-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride.
What is the SMILES notation for 2-amino-8-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
The canonical SMILES for 2-amino-8-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride is COc1cccc2c1C(=O)C(N)CC2.Cl.
What is the InChIKey of 2-amino-8-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
The InChIKey is DFAMCCAGNYLXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-14-9-4-2-3-7-5-6-8(12)11(13)10(7)9;/h2-4,8H,5-6,12H2,1H3;1H.
What are the key properties of 2-amino-8-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
2-amino-8-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride is sourced from PubChem (CID 19862989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).