2-(4-methylphenyl)-1,3-dihydroisoindole

C15H15N — CID 4278254

IUPAC2-(4-methylphenyl)-1,3-dihydroisoindole
SMILESCc1ccc(N2Cc3ccccc3C2)cc1
InChIInChI=1S/C15H15N/c1-12-6-8-15(9-7-12)16-10-13-4-2-3-5-14(13)11-16/h2-9H,10-11H2,1H3
InChIKeyWGYODUSRPISUME-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.52
Rot. Bonds1

About 2-(4-methylphenyl)-1,3-dihydroisoindole

2-(4-methylphenyl)-1,3-dihydroisoindole (PubChem CID 4278254) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(4-methylphenyl)-1,3-dihydroisoindole
PubChem CID4278254
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name2-(4-methylphenyl)-1,3-dihydroisoindole
SMILESCc1ccc(N2Cc3ccccc3C2)cc1
InChIInChI=1S/C15H15N/c1-12-6-8-15(9-7-12)16-10-13-4-2-3-5-14(13)11-16/h2-9H,10-11H2,1H3
InChIKeyWGYODUSRPISUME-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1,3-dihydroisoindole?
The IUPAC name of 2-(4-methylphenyl)-1,3-dihydroisoindole (CID 4278254) is 2-(4-methylphenyl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(4-methylphenyl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(4-methylphenyl)-1,3-dihydroisoindole is Cc1ccc(N2Cc3ccccc3C2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1,3-dihydroisoindole?
The InChIKey is WGYODUSRPISUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-12-6-8-15(9-7-12)16-10-13-4-2-3-5-14(13)11-16/h2-9H,10-11H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1,3-dihydroisoindole?
2-(4-methylphenyl)-1,3-dihydroisoindole has a molecular weight of 209.29 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1,3-dihydroisoindole is sourced from PubChem (CID 4278254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).