6-methoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one

C14H19NO2 — CID 84627517

IUPAC6-methoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1)CCC(NC(C)C)C2=O
InChIInChI=1S/C14H19NO2/c1-9(2)15-13-7-4-10-8-11(17-3)5-6-12(10)14(13)16/h5-6,8-9,13,15H,4,7H2,1-3H3
InChIKeyJRSJJOUFAIRTDH-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.19
Rot. Bonds3

About 6-methoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one

6-methoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 84627517) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-methoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-methoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID84627517
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name6-methoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1)CCC(NC(C)C)C2=O
InChIInChI=1S/C14H19NO2/c1-9(2)15-13-7-4-10-8-11(17-3)5-6-12(10)14(13)16/h5-6,8-9,13,15H,4,7H2,1-3H3
InChIKeyJRSJJOUFAIRTDH-UHFFFAOYSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one
CID 12067529
(2S)-2-[(dimethylamino)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 70254705
7-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510216
lithium;iodomethane;2-methanidylpropane;2-methoxy-6-(4-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 161136550
(2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 101410052
2-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-3-oxopropanoic acid
CID 163993738
3-hydroxy-2-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid
CID 70957135
2-(furan-2-yl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14084383
3-[(2S)-6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]propanoic acid
CID 129394210
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
2-[hydroxy(pyridin-4-yl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 178159401
(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl) 2-chloroacetate
CID 14691845

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-methoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one (CID 84627517) is 6-methoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-methoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-methoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one is COc1ccc2c(c1)CCC(NC(C)C)C2=O.
What is the InChIKey of 6-methoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is JRSJJOUFAIRTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(2)15-13-7-4-10-8-11(17-3)5-6-12(10)14(13)16/h5-6,8-9,13,15H,4,7H2,1-3H3.
What are the key properties of 6-methoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one?
6-methoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 84627517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).