3-(2-aminoethyl)-4-methyl-2,3-dihydroinden-1-one

C12H15NO — CID 82504593

IUPAC3-(2-aminoethyl)-4-methyl-2,3-dihydroinden-1-one
SMILESCc1cccc2c1C(CCN)CC2=O
InChIInChI=1S/C12H15NO/c1-8-3-2-4-10-11(14)7-9(5-6-13)12(8)10/h2-4,9H,5-7,13H2,1H3
InChIKeyFIVDJRZSLFTJHC-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.01
Rot. Bonds2

About 3-(2-aminoethyl)-4-methyl-2,3-dihydroinden-1-one

3-(2-aminoethyl)-4-methyl-2,3-dihydroinden-1-one (PubChem CID 82504593) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(2-aminoethyl)-4-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-4-methyl-2,3-dihydroinden-1-one
PubChem CID82504593
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-(2-aminoethyl)-4-methyl-2,3-dihydroinden-1-one
SMILESCc1cccc2c1C(CCN)CC2=O
InChIInChI=1S/C12H15NO/c1-8-3-2-4-10-11(14)7-9(5-6-13)12(8)10/h2-4,9H,5-7,13H2,1H3
InChIKeyFIVDJRZSLFTJHC-UHFFFAOYSA-N
XLogP2.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-aminoethyl)-4-methyl-2,3-dihydroinden-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

2-(8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 83829383
methyl 7-methyl-3-oxo-1,2-dihydroindene-1-carboxylate
CID 121009125
N-(2-acetamidoethyl)-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 110677598
7-methyl-N-[(2-methylphenyl)methyl]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 110677544
(4aR,10bR)-2,10-dimethyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one
CID 131859515
N-butyl-N,7-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 110677605
7-methyl-N-[(4-methylphenyl)methyl]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 110677546
2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 82076847
4-(aminomethyl)-5-fluoro-3,4-dihydro-2H-naphthalen-1-one
CID 82505066
5-(2-hydroxypropan-2-yl)-2-(7-methyl-3-oxo-1,2-dihydroinden-1-yl)oxolan-3-one
CID 163154143
2-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine
CID 105456450
4-methyl-2-prop-2-enyl-2,3-dihydroinden-1-one
CID 69170621

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-4-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 3-(2-aminoethyl)-4-methyl-2,3-dihydroinden-1-one (CID 82504593) is 3-(2-aminoethyl)-4-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 3-(2-aminoethyl)-4-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 3-(2-aminoethyl)-4-methyl-2,3-dihydroinden-1-one is Cc1cccc2c1C(CCN)CC2=O.
What is the InChIKey of 3-(2-aminoethyl)-4-methyl-2,3-dihydroinden-1-one?
The InChIKey is FIVDJRZSLFTJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8-3-2-4-10-11(14)7-9(5-6-13)12(8)10/h2-4,9H,5-7,13H2,1H3.
What are the key properties of 3-(2-aminoethyl)-4-methyl-2,3-dihydroinden-1-one?
3-(2-aminoethyl)-4-methyl-2,3-dihydroinden-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-4-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 82504593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).