1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone

C17H18N2O — CID 62389016

IUPAC1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCc3ccc(N)cc32)c1
InChIInChI=1S/C17H18N2O/c1-12-3-2-4-13(9-12)10-17(20)19-8-7-14-5-6-15(18)11-16(14)19/h2-6,9,11H,7-8,10,18H2,1H3
InChIKeyMCRWPJANVQAGCS-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.71
Rot. Bonds2

About 1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone

1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone (PubChem CID 62389016) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone
PubChem CID62389016
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCc3ccc(N)cc32)c1
InChIInChI=1S/C17H18N2O/c1-12-3-2-4-13(9-12)10-17(20)19-8-7-14-5-6-15(18)11-16(14)19/h2-6,9,11H,7-8,10,18H2,1H3
InChIKeyMCRWPJANVQAGCS-UHFFFAOYSA-N
XLogP2.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone 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

2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103493820
1-(6-amino-2,3-dihydroindol-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 28933951
1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone
CID 20773361
2-amino-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 131036223
1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone
CID 28707109
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 80744116
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 28707153
3-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103493837
6-amino-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 43164814
(6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone
CID 28776949
1-(6-amino-2,3-dihydroindol-1-yl)-4-ethoxybutan-1-one
CID 78984493
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996355

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone (CID 62389016) is 1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)N2CCc3ccc(N)cc32)c1.
What is the InChIKey of 1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone?
The InChIKey is MCRWPJANVQAGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-3-2-4-13(9-12)10-17(20)19-8-7-14-5-6-15(18)11-16(14)19/h2-6,9,11H,7-8,10,18H2,1H3.
What are the key properties of 1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone?
1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone has a molecular weight of 266.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 62389016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).