4-(2-aminoethyl)-2,5-dimethyl-6,7-dihydro-5H-isoindol-4-ol

C12H20N2O — CID 112716249

IUPAC4-(2-aminoethyl)-2,5-dimethyl-6,7-dihydro-5H-isoindol-4-ol
SMILESCC1CCc2cn(C)cc2C1(O)CCN
InChIInChI=1S/C12H20N2O/c1-9-3-4-10-7-14(2)8-11(10)12(9,15)5-6-13/h7-9,15H,3-6,13H2,1-2H3
InChIKeyZZXVIPJHIDSJCT-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.14
Rot. Bonds2

About 4-(2-aminoethyl)-2,5-dimethyl-6,7-dihydro-5H-isoindol-4-ol

4-(2-aminoethyl)-2,5-dimethyl-6,7-dihydro-5H-isoindol-4-ol (PubChem CID 112716249) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2,5-dimethyl-6,7-dihydro-5H-isoindol-4-ol.

Molecular Properties

Compound Name4-(2-aminoethyl)-2,5-dimethyl-6,7-dihydro-5H-isoindol-4-ol
PubChem CID112716249
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-(2-aminoethyl)-2,5-dimethyl-6,7-dihydro-5H-isoindol-4-ol
SMILESCC1CCc2cn(C)cc2C1(O)CCN
InChIInChI=1S/C12H20N2O/c1-9-3-4-10-7-14(2)8-11(10)12(9,15)5-6-13/h7-9,15H,3-6,13H2,1-2H3
InChIKeyZZXVIPJHIDSJCT-UHFFFAOYSA-N
XLogP1.14
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-aminoethyl)-2,5-dimethyl-6,7-dihydro-5H-isoindol-4-ol 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-(2,2,2-Trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-ol
CID 83207978
2-(4,4,4-Trifluorobutyl)-4,5,6,7-tetrahydroisoindol-4-ol
CID 83208187
2-(3,3,3-Trifluoropropyl)-4,5,6,7-tetrahydroisoindol-4-ol
CID 83208349
2-[3-(2,2,2-Trifluoroethoxy)propyl]-4,5,6,7-tetrahydroisoindol-4-ol
CID 83208667
2-(Difluoromethyl)-4,5,6,7-tetrahydroisoindol-4-ol
CID 83212417
2-(2,2-Difluoroethyl)-4,5,6,7-tetrahydroisoindol-4-ol
CID 83213000
(4R,5R)-4-methoxy-5-methyl-4,5,6,7-tetrahydro-2H-isoindole
CID 163277335
(4R)-4-methoxy-5-methyl-4,5,6,7-tetrahydro-2H-isoindole
CID 163277350
(4R,5S)-4-methoxy-5-methyl-4,5,6,7-tetrahydro-2H-isoindole
CID 163277399
(5S)-4-methoxy-5-methyl-4,5,6,7-tetrahydro-2H-isoindole
CID 167037368
4-methoxy-5-methyl-4,5,6,7-tetrahydro-2H-isoindole
CID 167037873
3-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-methylpropanamide
CID 83207689

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2,5-dimethyl-6,7-dihydro-5H-isoindol-4-ol?
The IUPAC name of 4-(2-aminoethyl)-2,5-dimethyl-6,7-dihydro-5H-isoindol-4-ol (CID 112716249) is 4-(2-aminoethyl)-2,5-dimethyl-6,7-dihydro-5H-isoindol-4-ol.
What is the SMILES notation for 4-(2-aminoethyl)-2,5-dimethyl-6,7-dihydro-5H-isoindol-4-ol?
The canonical SMILES for 4-(2-aminoethyl)-2,5-dimethyl-6,7-dihydro-5H-isoindol-4-ol is CC1CCc2cn(C)cc2C1(O)CCN.
What is the InChIKey of 4-(2-aminoethyl)-2,5-dimethyl-6,7-dihydro-5H-isoindol-4-ol?
The InChIKey is ZZXVIPJHIDSJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-3-4-10-7-14(2)8-11(10)12(9,15)5-6-13/h7-9,15H,3-6,13H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-2,5-dimethyl-6,7-dihydro-5H-isoindol-4-ol?
4-(2-aminoethyl)-2,5-dimethyl-6,7-dihydro-5H-isoindol-4-ol has a molecular weight of 208.30 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2,5-dimethyl-6,7-dihydro-5H-isoindol-4-ol is sourced from PubChem (CID 112716249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).