1-[2-(dipropylamino)-6-methoxy-2,3-dihydro-1H-inden-5-yl]ethanone

C18H27NO2 — CID 19710243

IUPAC1-[2-(dipropylamino)-6-methoxy-2,3-dihydro-1H-inden-5-yl]ethanone
SMILESCCCN(CCC)C1Cc2cc(OC)c(C(C)=O)cc2C1
InChIInChI=1S/C18H27NO2/c1-5-7-19(8-6-2)16-9-14-11-17(13(3)20)18(21-4)12-15(14)10-16/h11-12,16H,5-10H2,1-4H3
InChIKeyMAYNSHPAXUKEQY-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.49
Rot. Bonds7

About 1-[2-(dipropylamino)-6-methoxy-2,3-dihydro-1H-inden-5-yl]ethanone

1-[2-(dipropylamino)-6-methoxy-2,3-dihydro-1H-inden-5-yl]ethanone (PubChem CID 19710243) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[2-(dipropylamino)-6-methoxy-2,3-dihydro-1H-inden-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(dipropylamino)-6-methoxy-2,3-dihydro-1H-inden-5-yl]ethanone
PubChem CID19710243
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-[2-(dipropylamino)-6-methoxy-2,3-dihydro-1H-inden-5-yl]ethanone
SMILESCCCN(CCC)C1Cc2cc(OC)c(C(C)=O)cc2C1
InChIInChI=1S/C18H27NO2/c1-5-7-19(8-6-2)16-9-14-11-17(13(3)20)18(21-4)12-15(14)10-16/h11-12,16H,5-10H2,1-4H3
InChIKeyMAYNSHPAXUKEQY-UHFFFAOYSA-N
XLogP3.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dipropylamino)-6-methoxy-2,3-dihydro-1H-inden-5-yl]ethanone?
The IUPAC name of 1-[2-(dipropylamino)-6-methoxy-2,3-dihydro-1H-inden-5-yl]ethanone (CID 19710243) is 1-[2-(dipropylamino)-6-methoxy-2,3-dihydro-1H-inden-5-yl]ethanone.
What is the SMILES notation for 1-[2-(dipropylamino)-6-methoxy-2,3-dihydro-1H-inden-5-yl]ethanone?
The canonical SMILES for 1-[2-(dipropylamino)-6-methoxy-2,3-dihydro-1H-inden-5-yl]ethanone is CCCN(CCC)C1Cc2cc(OC)c(C(C)=O)cc2C1.
What is the InChIKey of 1-[2-(dipropylamino)-6-methoxy-2,3-dihydro-1H-inden-5-yl]ethanone?
The InChIKey is MAYNSHPAXUKEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-5-7-19(8-6-2)16-9-14-11-17(13(3)20)18(21-4)12-15(14)10-16/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 1-[2-(dipropylamino)-6-methoxy-2,3-dihydro-1H-inden-5-yl]ethanone?
1-[2-(dipropylamino)-6-methoxy-2,3-dihydro-1H-inden-5-yl]ethanone has a molecular weight of 289.42 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dipropylamino)-6-methoxy-2,3-dihydro-1H-inden-5-yl]ethanone is sourced from PubChem (CID 19710243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).