2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride

C11H15ClN2O2 — CID 119310079

IUPAC2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
SMILESCOc1ccc2c(c1)CCN2C(=O)CN.Cl
InChIInChI=1S/C11H14N2O2.ClH/c1-15-9-2-3-10-8(6-9)4-5-13(10)11(14)7-12;/h2-3,6H,4-5,7,12H2,1H3;1H
InChIKeyBXNLALANNKHWAJ-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.96
Rot. Bonds2

About 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride

2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride (PubChem CID 119310079) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
PubChem CID119310079
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
SMILESCOc1ccc2c(c1)CCN2C(=O)CN.Cl
InChIInChI=1S/C11H14N2O2.ClH/c1-15-9-2-3-10-8(6-9)4-5-13(10)11(14)7-12;/h2-3,6H,4-5,7,12H2,1H3;1H
InChIKeyBXNLALANNKHWAJ-UHFFFAOYSA-N
XLogP0.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one
CID 83624058
4-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)pentan-1-one
CID 120561708
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 119310076
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 110714096
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-morpholin-4-ylethanone
CID 141303253
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 83624052
[5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 126767960
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119760433
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119760453
1-(6-methoxy-2,3-dihydroindol-1-yl)butane-1,3-dione
CID 19612116
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride (CID 119310079) is 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride is COc1ccc2c(c1)CCN2C(=O)CN.Cl.
What is the InChIKey of 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride?
The InChIKey is BXNLALANNKHWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.ClH/c1-15-9-2-3-10-8(6-9)4-5-13(10)11(14)7-12;/h2-3,6H,4-5,7,12H2,1H3;1H.
What are the key properties of 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride?
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride has a molecular weight of 242.71 g/mol, XLogP of 0.96, 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)ethanone;hydrochloride is sourced from PubChem (CID 119310079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).