1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone

C14H21N3O2 — CID 59442016

IUPAC1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone
SMILESCCN(C)CC(=O)N1CCc2cc(OC)c(N)cc21
InChIInChI=1S/C14H21N3O2/c1-4-16(2)9-14(18)17-6-5-10-7-13(19-3)11(15)8-12(10)17/h7-8H,4-6,9,15H2,1-3H3
InChIKeyZZJPPJSXEJZDCW-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.12
Rot. Bonds4

About 1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone

1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone (PubChem CID 59442016) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone
PubChem CID59442016
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone
SMILESCCN(C)CC(=O)N1CCc2cc(OC)c(N)cc21
InChIInChI=1S/C14H21N3O2/c1-4-16(2)9-14(18)17-6-5-10-7-13(19-3)11(15)8-12(10)17/h7-8H,4-6,9,15H2,1-3H3
InChIKeyZZJPPJSXEJZDCW-UHFFFAOYSA-N
XLogP1.12
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-(dimethylamino)propan-1-one
CID 59441762
(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 67316189
2-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)acetaldehyde
CID 87513526
3-(5-amino-2,4-dimethoxyphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 82183966
1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane
CID 144637224
1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylethanone
CID 83213519
1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one
CID 83213346
4-amino-1-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 167922199
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
1-(5,6-dimethoxy-2,3-dihydroindol-1-yl)-2-(1,4-oxazepan-6-yl)ethanone
CID 166319109
3-amino-1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one
CID 68532871
1-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 16618560

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone?
The IUPAC name of 1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone (CID 59442016) is 1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone?
The canonical SMILES for 1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone is CCN(C)CC(=O)N1CCc2cc(OC)c(N)cc21.
What is the InChIKey of 1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone?
The InChIKey is ZZJPPJSXEJZDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-16(2)9-14(18)17-6-5-10-7-13(19-3)11(15)8-12(10)17/h7-8H,4-6,9,15H2,1-3H3.
What are the key properties of 1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone?
1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone has a molecular weight of 263.34 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone is sourced from PubChem (CID 59442016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).