7-amino-6-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one

C13H17NO2 — CID 134427476

IUPAC7-amino-6-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one
SMILESCOc1cc2c(cc1N)C(C)(C)C(=O)CC2
InChIInChI=1S/C13H17NO2/c1-13(2)9-7-10(14)11(16-3)6-8(9)4-5-12(13)15/h6-7H,4-5,14H2,1-3H3
InChIKeyRJEFBXZZWHCQBR-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.07
Rot. Bonds1

About 7-amino-6-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one

7-amino-6-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one (PubChem CID 134427476) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 7-amino-6-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one.

Molecular Properties

Compound Name7-amino-6-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one
PubChem CID134427476
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name7-amino-6-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one
SMILESCOc1cc2c(cc1N)C(C)(C)C(=O)CC2
InChIInChI=1S/C13H17NO2/c1-13(2)9-7-10(14)11(16-3)6-8(9)4-5-12(13)15/h6-7H,4-5,14H2,1-3H3
InChIKeyRJEFBXZZWHCQBR-UHFFFAOYSA-N
XLogP2.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 46882565
CID 46882565
CID 46882566
CID 46882566
CID 46882656
CID 46882656
CID 46882505
CID 46882505
CID 46882567
CID 46882567
CID 277054
CID 277054
CID 46882568
CID 46882568
CID 71717607
CID 71717607
CID 595742
CID 595742
CID 19708199
CID 19708199
CID 22621274
CID 22621274
CID 138618885
CID 138618885

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one?
The IUPAC name of 7-amino-6-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one (CID 134427476) is 7-amino-6-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one.
What is the SMILES notation for 7-amino-6-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one?
The canonical SMILES for 7-amino-6-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one is COc1cc2c(cc1N)C(C)(C)C(=O)CC2.
What is the InChIKey of 7-amino-6-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one?
The InChIKey is RJEFBXZZWHCQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2)9-7-10(14)11(16-3)6-8(9)4-5-12(13)15/h6-7H,4-5,14H2,1-3H3.
What are the key properties of 7-amino-6-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one?
7-amino-6-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one is sourced from PubChem (CID 134427476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).