2-benzyl-1,3-dihydroisoindole

C15H15N — CID 1402706

IUPAC2-benzyl-1,3-dihydroisoindole
SMILESc1ccc(CN2Cc3ccccc3C2)cc1
InChIInChI=1S/C15H15N/c1-2-6-13(7-3-1)10-16-11-14-8-4-5-9-15(14)12-16/h1-9H,10-12H2
InChIKeyFGTWRFGVFTTZOI-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.20
Rot. Bonds2

About 2-benzyl-1,3-dihydroisoindole

2-benzyl-1,3-dihydroisoindole (PubChem CID 1402706) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-benzyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-benzyl-1,3-dihydroisoindole
PubChem CID1402706
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name2-benzyl-1,3-dihydroisoindole
SMILESc1ccc(CN2Cc3ccccc3C2)cc1
InChIInChI=1S/C15H15N/c1-2-6-13(7-3-1)10-16-11-14-8-4-5-9-15(14)12-16/h1-9H,10-12H2
InChIKeyFGTWRFGVFTTZOI-UHFFFAOYSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3-dihydroisoindole?
The IUPAC name of 2-benzyl-1,3-dihydroisoindole (CID 1402706) is 2-benzyl-1,3-dihydroisoindole.
What is the SMILES notation for 2-benzyl-1,3-dihydroisoindole?
The canonical SMILES for 2-benzyl-1,3-dihydroisoindole is c1ccc(CN2Cc3ccccc3C2)cc1.
What is the InChIKey of 2-benzyl-1,3-dihydroisoindole?
The InChIKey is FGTWRFGVFTTZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-2-6-13(7-3-1)10-16-11-14-8-4-5-9-15(14)12-16/h1-9H,10-12H2.
What are the key properties of 2-benzyl-1,3-dihydroisoindole?
2-benzyl-1,3-dihydroisoindole has a molecular weight of 209.29 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3-dihydroisoindole is sourced from PubChem (CID 1402706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).