(2R)-1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-(dimethylamino)propan-1-one

C14H21N3O2 — CID 59441762

IUPAC(2R)-1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-(dimethylamino)propan-1-one
SMILESCOc1cc2c(cc1N)N(C(=O)[C@@H](C)N(C)C)CC2
InChIInChI=1S/C14H21N3O2/c1-9(16(2)3)14(18)17-6-5-10-7-13(19-4)11(15)8-12(10)17/h7-9H,5-6,15H2,1-4H3/t9-/m1/s1
InChIKeyGPAZATKKYCILAP-SECBINFHSA-N
MW263.34 g/mol
LogP1.12
Rot. Bonds3

About (2R)-1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-(dimethylamino)propan-1-one

(2R)-1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-(dimethylamino)propan-1-one (PubChem CID 59441762) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2R)-1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-(dimethylamino)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-(dimethylamino)propan-1-one
PubChem CID59441762
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(2R)-1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-(dimethylamino)propan-1-one
SMILESCOc1cc2c(cc1N)N(C(=O)[C@@H](C)N(C)C)CC2
InChIInChI=1S/C14H21N3O2/c1-9(16(2)3)14(18)17-6-5-10-7-13(19-4)11(15)8-12(10)17/h7-9H,5-6,15H2,1-4H3/t9-/m1/s1
InChIKeyGPAZATKKYCILAP-SECBINFHSA-N
XLogP1.12
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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'}

Analyze (2R)-1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-(dimethylamino)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone
CID 59442016
(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 67316189
3-[[2-[[1-[(2S)-2-(dimethylamino)propanoyl]-5-methoxy-2,3-dihydroindol-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]thiophene-2-carboxamide
CID 70897278
2-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)acetaldehyde
CID 87513526
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 83624052
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 119310076
(2S)-1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-one
CID 39948944
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one
CID 8515151
methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917334
1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 119324906
(2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one
CID 119280335
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943179

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-(dimethylamino)propan-1-one?
The IUPAC name of (2R)-1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-(dimethylamino)propan-1-one (CID 59441762) is (2R)-1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-(dimethylamino)propan-1-one.
What is the SMILES notation for (2R)-1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-(dimethylamino)propan-1-one?
The canonical SMILES for (2R)-1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-(dimethylamino)propan-1-one is COc1cc2c(cc1N)N(C(=O)[C@@H](C)N(C)C)CC2.
What is the InChIKey of (2R)-1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-(dimethylamino)propan-1-one?
The InChIKey is GPAZATKKYCILAP-SECBINFHSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(16(2)3)14(18)17-6-5-10-7-13(19-4)11(15)8-12(10)17/h7-9H,5-6,15H2,1-4H3/t9-/m1/s1.
What are the key properties of (2R)-1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-(dimethylamino)propan-1-one?
(2R)-1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-(dimethylamino)propan-1-one has a molecular weight of 263.34 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-(dimethylamino)propan-1-one is sourced from PubChem (CID 59441762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).