2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one

C12H16N2O2 — CID 83624052

IUPAC2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one
SMILESCOc1ccc2c(c1)CCN2C(=O)C(C)N
InChIInChI=1S/C12H16N2O2/c1-8(13)12(15)14-6-5-9-7-10(16-2)3-4-11(9)14/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyNCHXMDMDIFWHIY-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.93
Rot. Bonds2

About 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one

2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 83624052) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID83624052
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one
SMILESCOc1ccc2c(c1)CCN2C(=O)C(C)N
InChIInChI=1S/C12H16N2O2/c1-8(13)12(15)14-6-5-9-7-10(16-2)3-4-11(9)14/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyNCHXMDMDIFWHIY-UHFFFAOYSA-N
XLogP0.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 119310076
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119760433
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 120668047
4-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)pentan-1-one
CID 120561708
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone
CID 120790812
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one
CID 119310085
(2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one
CID 119280335
(2S,3S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one
CID 61258316
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
(2R)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)propan-1-one
CID 30257325
1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 119305331
(2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 107569298

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one (CID 83624052) is 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one is COc1ccc2c(c1)CCN2C(=O)C(C)N.
What is the InChIKey of 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is NCHXMDMDIFWHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(13)12(15)14-6-5-9-7-10(16-2)3-4-11(9)14/h3-4,7-8H,5-6,13H2,1-2H3.
What are the key properties of 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one?
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 220.27 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 83624052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).