1-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-isoindole

C17H19N — CID 65047103

IUPAC1-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-isoindole
SMILESCc1cc(C)cc(CC2NCc3ccccc32)c1
InChIInChI=1S/C17H19N/c1-12-7-13(2)9-14(8-12)10-17-16-6-4-3-5-15(16)11-18-17/h3-9,17-18H,10-11H2,1-2H3
InChIKeyRMQXMQIBOLXWCW-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.69
Rot. Bonds2

About 1-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-isoindole

1-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-isoindole (PubChem CID 65047103) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-isoindole
PubChem CID65047103
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name1-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-isoindole
SMILESCc1cc(C)cc(CC2NCc3ccccc32)c1
InChIInChI=1S/C17H19N/c1-12-7-13(2)9-14(8-12)10-17-16-6-4-3-5-15(16)11-18-17/h3-9,17-18H,10-11H2,1-2H3
InChIKeyRMQXMQIBOLXWCW-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-isoindole (CID 65047103) is 1-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-isoindole is Cc1cc(C)cc(CC2NCc3ccccc32)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-isoindole?
The InChIKey is RMQXMQIBOLXWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-12-7-13(2)9-14(8-12)10-17-16-6-4-3-5-15(16)11-18-17/h3-9,17-18H,10-11H2,1-2H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-isoindole?
1-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-isoindole has a molecular weight of 237.35 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 65047103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).