5-propan-2-yloxy-2,3-dihydro-1H-isoindole;hydrochloride

C11H16ClNO — CID 68823048

IUPAC5-propan-2-yloxy-2,3-dihydro-1H-isoindole;hydrochloride
SMILESCC(C)Oc1ccc2c(c1)CNC2.Cl
InChIInChI=1S/C11H15NO.ClH/c1-8(2)13-11-4-3-9-6-12-7-10(9)5-11;/h3-5,8,12H,6-7H2,1-2H3;1H
InChIKeyLKJHUDNFAAGLAI-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.50
Rot. Bonds2

About 5-propan-2-yloxy-2,3-dihydro-1H-isoindole;hydrochloride

5-propan-2-yloxy-2,3-dihydro-1H-isoindole;hydrochloride (PubChem CID 68823048) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 5-propan-2-yloxy-2,3-dihydro-1H-isoindole;hydrochloride.

Molecular Properties

Compound Name5-propan-2-yloxy-2,3-dihydro-1H-isoindole;hydrochloride
PubChem CID68823048
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name5-propan-2-yloxy-2,3-dihydro-1H-isoindole;hydrochloride
SMILESCC(C)Oc1ccc2c(c1)CNC2.Cl
InChIInChI=1S/C11H15NO.ClH/c1-8(2)13-11-4-3-9-6-12-7-10(9)5-11;/h3-5,8,12H,6-7H2,1-2H3;1H
InChIKeyLKJHUDNFAAGLAI-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-propan-2-yloxy-2,3-dihydro-1H-isoindole;hydrochloride 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

5,5'-di(propan-2-yloxy)-2,2'-spirobi[1,3-dihydroindene]
CID 20685087
2,3-dihydro-1H-isoindol-5-yl methanesulfonate
CID 18630962
6-propan-2-yloxy-1H-indene
CID 175850570
5-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole
CID 115076085
ethane;5-propan-2-yl-2,3-dihydro-1H-isoindole
CID 161239828
5-[(1-propan-2-ylazetidin-3-yl)methoxy]-2,3-dihydro-1H-isoindole
CID 115076003
2-methylidene-5-propan-2-yloxy-1,3-dihydroindole
CID 89252566
2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine
CID 59263142
5-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-isoindole
CID 115075958
N-propan-2-yl-2,3-dihydro-1H-isoindol-5-amine
CID 66657110
2-imino-5-propan-2-yloxy-3H-inden-1-one
CID 167483069
3-ethyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 64687588

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxy-2,3-dihydro-1H-isoindole;hydrochloride?
The IUPAC name of 5-propan-2-yloxy-2,3-dihydro-1H-isoindole;hydrochloride (CID 68823048) is 5-propan-2-yloxy-2,3-dihydro-1H-isoindole;hydrochloride.
What is the SMILES notation for 5-propan-2-yloxy-2,3-dihydro-1H-isoindole;hydrochloride?
The canonical SMILES for 5-propan-2-yloxy-2,3-dihydro-1H-isoindole;hydrochloride is CC(C)Oc1ccc2c(c1)CNC2.Cl.
What is the InChIKey of 5-propan-2-yloxy-2,3-dihydro-1H-isoindole;hydrochloride?
The InChIKey is LKJHUDNFAAGLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-8(2)13-11-4-3-9-6-12-7-10(9)5-11;/h3-5,8,12H,6-7H2,1-2H3;1H.
What are the key properties of 5-propan-2-yloxy-2,3-dihydro-1H-isoindole;hydrochloride?
5-propan-2-yloxy-2,3-dihydro-1H-isoindole;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxy-2,3-dihydro-1H-isoindole;hydrochloride is sourced from PubChem (CID 68823048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).