2-propyl-1,3-dihydroisoindol-4-amine

C11H16N2 — CID 43370190

IUPAC2-propyl-1,3-dihydroisoindol-4-amine
SMILESCCCN1Cc2cccc(N)c2C1
InChIInChI=1S/C11H16N2/c1-2-6-13-7-9-4-3-5-11(12)10(9)8-13/h3-5H,2,6-8,12H2,1H3
InChIKeyJBIZIGZHQMDVHR-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.99
Rot. Bonds2

About 2-propyl-1,3-dihydroisoindol-4-amine

2-propyl-1,3-dihydroisoindol-4-amine (PubChem CID 43370190) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-propyl-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-propyl-1,3-dihydroisoindol-4-amine
PubChem CID43370190
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-propyl-1,3-dihydroisoindol-4-amine
SMILESCCCN1Cc2cccc(N)c2C1
InChIInChI=1S/C11H16N2/c1-2-6-13-7-9-4-3-5-11(12)10(9)8-13/h3-5H,2,6-8,12H2,1H3
InChIKeyJBIZIGZHQMDVHR-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-propyl-1,3-dihydroisoindol-4-amine (CID 43370190) is 2-propyl-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-propyl-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-propyl-1,3-dihydroisoindol-4-amine is CCCN1Cc2cccc(N)c2C1.
What is the InChIKey of 2-propyl-1,3-dihydroisoindol-4-amine?
The InChIKey is JBIZIGZHQMDVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-6-13-7-9-4-3-5-11(12)10(9)8-13/h3-5H,2,6-8,12H2,1H3.
What are the key properties of 2-propyl-1,3-dihydroisoindol-4-amine?
2-propyl-1,3-dihydroisoindol-4-amine has a molecular weight of 176.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 43370190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).