[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(2,5-dimethylfuran-3-yl)methanone

C17H20N2O2 — CID 63235783

IUPAC[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(CCN)c3ccccc32)c(C)o1
InChIInChI=1S/C17H20N2O2/c1-11-9-15(12(2)21-11)17(20)19-10-13(7-8-18)14-5-3-4-6-16(14)19/h3-6,9,13H,7-8,10,18H2,1-2H3
InChIKeyAHEXHCBMTKAXGR-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.99
Rot. Bonds3

About [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(2,5-dimethylfuran-3-yl)methanone

[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 63235783) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(2,5-dimethylfuran-3-yl)methanone
PubChem CID63235783
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(CCN)c3ccccc32)c(C)o1
InChIInChI=1S/C17H20N2O2/c1-11-9-15(12(2)21-11)17(20)19-10-13(7-8-18)14-5-3-4-6-16(14)19/h3-6,9,13H,7-8,10,18H2,1-2H3
InChIKeyAHEXHCBMTKAXGR-UHFFFAOYSA-N
XLogP2.99
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574042
[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(2-hydroxy-5-methylsulfanylphenyl)methanone
CID 167755510
[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(5-chlorofuran-2-yl)methanone
CID 63235429
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 63235471
[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 63235606
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 63235305
[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(4-bromo-1-methylpyrrol-2-yl)methanone
CID 63235135
[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(oxan-4-yl)methanone
CID 63234920
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115949470
3-(2-aminoethyl)-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 63235966
[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-cyclohex-3-en-1-ylmethanone
CID 63235557
(2,4-difluorophenyl)-(3-ethyl-2,3-dihydroindol-1-yl)methanone
CID 143074172

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(2,5-dimethylfuran-3-yl)methanone (CID 63235783) is [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(2,5-dimethylfuran-3-yl)methanone is Cc1cc(C(=O)N2CC(CCN)c3ccccc32)c(C)o1.
What is the InChIKey of [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is AHEXHCBMTKAXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-9-15(12(2)21-11)17(20)19-10-13(7-8-18)14-5-3-4-6-16(14)19/h3-6,9,13H,7-8,10,18H2,1-2H3.
What are the key properties of [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 63235783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).