2-(2,3-dihydro-1H-isoindol-5-yl)propan-2-amine

C11H16N2 — CID 150286904

IUPAC2-(2,3-dihydro-1H-isoindol-5-yl)propan-2-amine
SMILESCC(C)(N)c1ccc2c(c1)CNC2
InChIInChI=1S/C11H16N2/c1-11(2,12)10-4-3-8-6-13-7-9(8)5-10/h3-5,13H,6-7,12H2,1-2H3
InChIKeyGGTUQXKDSFCYLQ-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.48
Rot. Bonds1

About 2-(2,3-dihydro-1H-isoindol-5-yl)propan-2-amine

2-(2,3-dihydro-1H-isoindol-5-yl)propan-2-amine (PubChem CID 150286904) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-isoindol-5-yl)propan-2-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-isoindol-5-yl)propan-2-amine
PubChem CID150286904
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-(2,3-dihydro-1H-isoindol-5-yl)propan-2-amine
SMILESCC(C)(N)c1ccc2c(c1)CNC2
InChIInChI=1S/C11H16N2/c1-11(2,12)10-4-3-8-6-13-7-9(8)5-10/h3-5,13H,6-7,12H2,1-2H3
InChIKeyGGTUQXKDSFCYLQ-UHFFFAOYSA-N
XLogP1.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Isoindoline
CID 422478
N-Methyl-4-(pyrrolidin-1-ylmethyl)benzylamine
CID 18525869
1,4-Dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene
CID 15628574
(1S,9R)-1,12-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene
CID 44274667
2,3-dihydro-1H-isoindole hydrochloride
CID 12311031
2-(4-Methylphenyl)pyrrolidine
CID 3563134
(9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),10,12,14-tetraene
CID 15628834
(1S,10R)-1-methyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene
CID 44274647
(1S,9R)-1,13-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene
CID 44274934
(1S,9R)-1,5-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene
CID 44274977
(1S,9R)-1,4-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene
CID 44275080
1,1,3,3-Tetramethylisoindoline
CID 641027

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-isoindol-5-yl)propan-2-amine?
The IUPAC name of 2-(2,3-dihydro-1H-isoindol-5-yl)propan-2-amine (CID 150286904) is 2-(2,3-dihydro-1H-isoindol-5-yl)propan-2-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-isoindol-5-yl)propan-2-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-isoindol-5-yl)propan-2-amine is CC(C)(N)c1ccc2c(c1)CNC2.
What is the InChIKey of 2-(2,3-dihydro-1H-isoindol-5-yl)propan-2-amine?
The InChIKey is GGTUQXKDSFCYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-11(2,12)10-4-3-8-6-13-7-9(8)5-10/h3-5,13H,6-7,12H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-isoindol-5-yl)propan-2-amine?
2-(2,3-dihydro-1H-isoindol-5-yl)propan-2-amine has a molecular weight of 176.26 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-isoindol-5-yl)propan-2-amine is sourced from PubChem (CID 150286904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).