1-(oxolan-3-yl)-2,3-dihydro-1H-isoindol-4-amine;hydrochloride

C12H17ClN2O — CID 175869105

IUPAC1-(oxolan-3-yl)-2,3-dihydro-1H-isoindol-4-amine;hydrochloride
SMILESCl.Nc1cccc2c1CNC2C1CCOC1
InChIInChI=1S/C12H16N2O.ClH/c13-11-3-1-2-9-10(11)6-14-12(9)8-4-5-15-7-8;/h1-3,8,12,14H,4-7,13H2;1H
InChIKeyYATLWGNVEVYEGC-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.87
Rot. Bonds1

About 1-(oxolan-3-yl)-2,3-dihydro-1H-isoindol-4-amine;hydrochloride

1-(oxolan-3-yl)-2,3-dihydro-1H-isoindol-4-amine;hydrochloride (PubChem CID 175869105) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2,3-dihydro-1H-isoindol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2,3-dihydro-1H-isoindol-4-amine;hydrochloride
PubChem CID175869105
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-(oxolan-3-yl)-2,3-dihydro-1H-isoindol-4-amine;hydrochloride
SMILESCl.Nc1cccc2c1CNC2C1CCOC1
InChIInChI=1S/C12H16N2O.ClH/c13-11-3-1-2-9-10(11)6-14-12(9)8-4-5-15-7-8;/h1-3,8,12,14H,4-7,13H2;1H
InChIKeyYATLWGNVEVYEGC-UHFFFAOYSA-N
XLogP1.87
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2,3-dihydro-1H-isoindol-4-amine;hydrochloride?
The IUPAC name of 1-(oxolan-3-yl)-2,3-dihydro-1H-isoindol-4-amine;hydrochloride (CID 175869105) is 1-(oxolan-3-yl)-2,3-dihydro-1H-isoindol-4-amine;hydrochloride.
What is the SMILES notation for 1-(oxolan-3-yl)-2,3-dihydro-1H-isoindol-4-amine;hydrochloride?
The canonical SMILES for 1-(oxolan-3-yl)-2,3-dihydro-1H-isoindol-4-amine;hydrochloride is Cl.Nc1cccc2c1CNC2C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-2,3-dihydro-1H-isoindol-4-amine;hydrochloride?
The InChIKey is YATLWGNVEVYEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/c13-11-3-1-2-9-10(11)6-14-12(9)8-4-5-15-7-8;/h1-3,8,12,14H,4-7,13H2;1H.
What are the key properties of 1-(oxolan-3-yl)-2,3-dihydro-1H-isoindol-4-amine;hydrochloride?
1-(oxolan-3-yl)-2,3-dihydro-1H-isoindol-4-amine;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2,3-dihydro-1H-isoindol-4-amine;hydrochloride is sourced from PubChem (CID 175869105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).