2-(1-phenylethyl)-1,3-dihydroisoindole

C16H17N — CID 6618795

IUPAC2-(1-phenylethyl)-1,3-dihydroisoindole
SMILESCC(c1ccccc1)N1Cc2ccccc2C1
InChIInChI=1S/C16H17N/c1-13(14-7-3-2-4-8-14)17-11-15-9-5-6-10-16(15)12-17/h2-10,13H,11-12H2,1H3
InChIKeyGJJSQPPDUJHDOE-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.76
Rot. Bonds2

About 2-(1-phenylethyl)-1,3-dihydroisoindole

2-(1-phenylethyl)-1,3-dihydroisoindole (PubChem CID 6618795) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(1-phenylethyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(1-phenylethyl)-1,3-dihydroisoindole
PubChem CID6618795
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-(1-phenylethyl)-1,3-dihydroisoindole
SMILESCC(c1ccccc1)N1Cc2ccccc2C1
InChIInChI=1S/C16H17N/c1-13(14-7-3-2-4-8-14)17-11-15-9-5-6-10-16(15)12-17/h2-10,13H,11-12H2,1H3
InChIKeyGJJSQPPDUJHDOE-UHFFFAOYSA-N
XLogP3.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethyl)-1,3-dihydroisoindole?
The IUPAC name of 2-(1-phenylethyl)-1,3-dihydroisoindole (CID 6618795) is 2-(1-phenylethyl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(1-phenylethyl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(1-phenylethyl)-1,3-dihydroisoindole is CC(c1ccccc1)N1Cc2ccccc2C1.
What is the InChIKey of 2-(1-phenylethyl)-1,3-dihydroisoindole?
The InChIKey is GJJSQPPDUJHDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-13(14-7-3-2-4-8-14)17-11-15-9-5-6-10-16(15)12-17/h2-10,13H,11-12H2,1H3.
What are the key properties of 2-(1-phenylethyl)-1,3-dihydroisoindole?
2-(1-phenylethyl)-1,3-dihydroisoindole has a molecular weight of 223.32 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethyl)-1,3-dihydroisoindole is sourced from PubChem (CID 6618795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).