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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Related Compounds

(3R)-3-amino-7-methoxy-2,3-dihydroinden-1-one;hydrochloride
CID 11608195
2-bromo-5-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 18941101
(2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 95431927
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932
(6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 142640343
(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride
CID 19888691
(3-amino-2,3-dihydro-1H-inden-4-yl) N,N-dimethylcarbamate;hydrochloride
CID 45265587
(1S)-7-(difluoromethoxy)-2,3-dihydro-1H-inden-1-amine
CID 126992246
8-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 4136021
(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 67639312
1,7-dimethoxy-2,3-dihydro-1H-indene
CID 139893728
(2S)-8-methoxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 70128617

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).