2-(1-phenylpropan-2-yl)-1,3-dihydroisoindole

C17H19N — CID 6618797

IUPAC2-(1-phenylpropan-2-yl)-1,3-dihydroisoindole
SMILESCC(Cc1ccccc1)N1Cc2ccccc2C1
InChIInChI=1S/C17H19N/c1-14(11-15-7-3-2-4-8-15)18-12-16-9-5-6-10-17(16)13-18/h2-10,14H,11-13H2,1H3
InChIKeyRUYDSVKPHNJMOS-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.63
Rot. Bonds3

About 2-(1-phenylpropan-2-yl)-1,3-dihydroisoindole

2-(1-phenylpropan-2-yl)-1,3-dihydroisoindole (PubChem CID 6618797) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(1-phenylpropan-2-yl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(1-phenylpropan-2-yl)-1,3-dihydroisoindole
PubChem CID6618797
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name2-(1-phenylpropan-2-yl)-1,3-dihydroisoindole
SMILESCC(Cc1ccccc1)N1Cc2ccccc2C1
InChIInChI=1S/C17H19N/c1-14(11-15-7-3-2-4-8-15)18-12-16-9-5-6-10-17(16)13-18/h2-10,14H,11-13H2,1H3
InChIKeyRUYDSVKPHNJMOS-UHFFFAOYSA-N
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpropan-2-yl)-1,3-dihydroisoindole?
The IUPAC name of 2-(1-phenylpropan-2-yl)-1,3-dihydroisoindole (CID 6618797) is 2-(1-phenylpropan-2-yl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(1-phenylpropan-2-yl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(1-phenylpropan-2-yl)-1,3-dihydroisoindole is CC(Cc1ccccc1)N1Cc2ccccc2C1.
What is the InChIKey of 2-(1-phenylpropan-2-yl)-1,3-dihydroisoindole?
The InChIKey is RUYDSVKPHNJMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-14(11-15-7-3-2-4-8-15)18-12-16-9-5-6-10-17(16)13-18/h2-10,14H,11-13H2,1H3.
What are the key properties of 2-(1-phenylpropan-2-yl)-1,3-dihydroisoindole?
2-(1-phenylpropan-2-yl)-1,3-dihydroisoindole has a molecular weight of 237.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpropan-2-yl)-1,3-dihydroisoindole is sourced from PubChem (CID 6618797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).