(4R)-4-amino-6-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one

C13H17NO2 — CID 124562773

IUPAC(4R)-4-amino-6-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)[C@H](N)CC(C)(C)C2=O
InChIInChI=1S/C13H17NO2/c1-13(2)7-11(14)10-6-8(16-3)4-5-9(10)12(13)15/h4-6,11H,7,14H2,1-3H3/t11-/m1/s1
InChIKeyOUESEJKQHNDBKF-LLVKDONJSA-N
MW219.28 g/mol
LogP2.31
Rot. Bonds1

About (4R)-4-amino-6-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one

(4R)-4-amino-6-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one (PubChem CID 124562773) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (4R)-4-amino-6-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(4R)-4-amino-6-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one
PubChem CID124562773
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(4R)-4-amino-6-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)[C@H](N)CC(C)(C)C2=O
InChIInChI=1S/C13H17NO2/c1-13(2)7-11(14)10-6-8(16-3)4-5-9(10)12(13)15/h4-6,11H,7,14H2,1-3H3/t11-/m1/s1
InChIKeyOUESEJKQHNDBKF-LLVKDONJSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2,2-dimethyl-3H-inden-1-one
CID 10330158
6-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-amine
CID 84620622
(1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydronaphtho[1,2-b]oxiren-3-one
CID 129383938
2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
CID 44726409
4-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-6-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one
CID 66844852
(2S,3S)-3-amino-2-hydroxy-5-methoxy-2,3-dihydroinden-1-one
CID 131859476
(1S,9R)-9-amino-5-methoxytricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one
CID 124706355
2-(2,2-dimethylcyclopropyl)-5-methoxyaniline
CID 121014201
(1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837765
3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825079
2-amino-6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol
CID 84623934
(4R)-3'-ethoxy-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825149

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-6-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one?
The IUPAC name of (4R)-4-amino-6-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one (CID 124562773) is (4R)-4-amino-6-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (4R)-4-amino-6-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (4R)-4-amino-6-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one is COc1ccc2c(c1)[C@H](N)CC(C)(C)C2=O.
What is the InChIKey of (4R)-4-amino-6-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one?
The InChIKey is OUESEJKQHNDBKF-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2)7-11(14)10-6-8(16-3)4-5-9(10)12(13)15/h4-6,11H,7,14H2,1-3H3/t11-/m1/s1.
What are the key properties of (4R)-4-amino-6-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one?
(4R)-4-amino-6-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one has a molecular weight of 219.28 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-6-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 124562773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).