ethane;N-methyl-2,3-dihydro-1H-isoindol-4-amine

C11H18N2 — CID 170747588

IUPACethane;N-methyl-2,3-dihydro-1H-isoindol-4-amine
SMILESCC.CNc1cccc2c1CNC2
InChIInChI=1S/C9H12N2.C2H6/c1-10-9-4-2-3-7-5-11-6-8(7)9;1-2/h2-4,10-11H,5-6H2,1H3;1-2H3
InChIKeyHHOKHANEAQTTRV-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.36
Rot. Bonds1

About ethane;N-methyl-2,3-dihydro-1H-isoindol-4-amine

ethane;N-methyl-2,3-dihydro-1H-isoindol-4-amine (PubChem CID 170747588) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is ethane;N-methyl-2,3-dihydro-1H-isoindol-4-amine.

Molecular Properties

Compound Nameethane;N-methyl-2,3-dihydro-1H-isoindol-4-amine
PubChem CID170747588
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Nameethane;N-methyl-2,3-dihydro-1H-isoindol-4-amine
SMILESCC.CNc1cccc2c1CNC2
InChIInChI=1S/C9H12N2.C2H6/c1-10-9-4-2-3-7-5-11-6-8(7)9;1-2/h2-4,10-11H,5-6H2,1H3;1-2H3
InChIKeyHHOKHANEAQTTRV-UHFFFAOYSA-N
XLogP2.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze ethane;N-methyl-2,3-dihydro-1H-isoindol-4-amine 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

ethane;4-fluoro-2,3-dihydro-1H-isoindole;methane;methanol;hydrate
CID 143936709
4-(1-fluoroethyl)-2,3-dihydro-1H-isoindole
CID 84652151
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-isoindol-4-amine
CID 168583874
2-tert-butyl-N-methyl-1,3-dihydroisoindol-4-amine
CID 117006127
4-(trifluoromethyl)-2,3-dihydro-1H-isoindole;hydrochloride
CID 67486328
ethane;4-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 166485971
2-(4-fluorophenyl)-N-methyl-1,3-dihydroisoindol-4-amine
CID 117006148
4,5-dimethyl-2,3-dihydro-1H-isoindole;ethane
CID 153397787
N,3-dimethyl-3,4-dihydro-1H-isochromen-8-amine
CID 163367773
N-hydroxy-2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride
CID 175813722
4-(methylsulfonylmethyl)-2,3-dihydro-1H-isoindole
CID 115104525
benzene;2,3-dihydro-1H-isoindole
CID 161490745

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2,3-dihydro-1H-isoindol-4-amine?
The IUPAC name of ethane;N-methyl-2,3-dihydro-1H-isoindol-4-amine (CID 170747588) is ethane;N-methyl-2,3-dihydro-1H-isoindol-4-amine.
What is the SMILES notation for ethane;N-methyl-2,3-dihydro-1H-isoindol-4-amine?
The canonical SMILES for ethane;N-methyl-2,3-dihydro-1H-isoindol-4-amine is CC.CNc1cccc2c1CNC2.
What is the InChIKey of ethane;N-methyl-2,3-dihydro-1H-isoindol-4-amine?
The InChIKey is HHOKHANEAQTTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.C2H6/c1-10-9-4-2-3-7-5-11-6-8(7)9;1-2/h2-4,10-11H,5-6H2,1H3;1-2H3.
What are the key properties of ethane;N-methyl-2,3-dihydro-1H-isoindol-4-amine?
ethane;N-methyl-2,3-dihydro-1H-isoindol-4-amine has a molecular weight of 178.28 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2,3-dihydro-1H-isoindol-4-amine is sourced from PubChem (CID 170747588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).