2-amino-4,4-dimethyl-2,3-dihydronaphthalen-1-one;hydrochloride

C12H16ClNO — CID 54602990

IUPAC2-amino-4,4-dimethyl-2,3-dihydronaphthalen-1-one;hydrochloride
SMILESCC1(C)CC(N)C(=O)c2ccccc21.Cl
InChIInChI=1S/C12H15NO.ClH/c1-12(2)7-10(13)11(14)8-5-3-4-6-9(8)12;/h3-6,10H,7,13H2,1-2H3;1H
InChIKeyZXWGVJQPHSCYLM-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.30
Rot. Bonds

About 2-amino-4,4-dimethyl-2,3-dihydronaphthalen-1-one;hydrochloride

2-amino-4,4-dimethyl-2,3-dihydronaphthalen-1-one;hydrochloride (PubChem CID 54602990) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-amino-4,4-dimethyl-2,3-dihydronaphthalen-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-4,4-dimethyl-2,3-dihydronaphthalen-1-one;hydrochloride
PubChem CID54602990
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-amino-4,4-dimethyl-2,3-dihydronaphthalen-1-one;hydrochloride
SMILESCC1(C)CC(N)C(=O)c2ccccc21.Cl
InChIInChI=1S/C12H15NO.ClH/c1-12(2)7-10(13)11(14)8-5-3-4-6-9(8)12;/h3-6,10H,7,13H2,1-2H3;1H
InChIKeyZXWGVJQPHSCYLM-UHFFFAOYSA-N
XLogP2.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4-dimethyl-2,3-dihydronaphthalen-1-one;hydrochloride?
The IUPAC name of 2-amino-4,4-dimethyl-2,3-dihydronaphthalen-1-one;hydrochloride (CID 54602990) is 2-amino-4,4-dimethyl-2,3-dihydronaphthalen-1-one;hydrochloride.
What is the SMILES notation for 2-amino-4,4-dimethyl-2,3-dihydronaphthalen-1-one;hydrochloride?
The canonical SMILES for 2-amino-4,4-dimethyl-2,3-dihydronaphthalen-1-one;hydrochloride is CC1(C)CC(N)C(=O)c2ccccc21.Cl.
What is the InChIKey of 2-amino-4,4-dimethyl-2,3-dihydronaphthalen-1-one;hydrochloride?
The InChIKey is ZXWGVJQPHSCYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.ClH/c1-12(2)7-10(13)11(14)8-5-3-4-6-9(8)12;/h3-6,10H,7,13H2,1-2H3;1H.
What are the key properties of 2-amino-4,4-dimethyl-2,3-dihydronaphthalen-1-one;hydrochloride?
2-amino-4,4-dimethyl-2,3-dihydronaphthalen-1-one;hydrochloride has a molecular weight of 225.72 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4-dimethyl-2,3-dihydronaphthalen-1-one;hydrochloride is sourced from PubChem (CID 54602990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).