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

C16H17N — CID 14026031

IUPAC2-(2-phenylethyl)-1,3-dihydroisoindole
SMILESc1ccc(CCN2Cc3ccccc3C2)cc1
InChIInChI=1S/C16H17N/c1-2-6-14(7-3-1)10-11-17-12-15-8-4-5-9-16(15)13-17/h1-9H,10-13H2
InChIKeyIWWCEUWGQRGXFV-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.24
Rot. Bonds3

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

2-(2-phenylethyl)-1,3-dihydroisoindole (PubChem CID 14026031) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(2-phenylethyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(2-phenylethyl)-1,3-dihydroisoindole
PubChem CID14026031
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-(2-phenylethyl)-1,3-dihydroisoindole
SMILESc1ccc(CCN2Cc3ccccc3C2)cc1
InChIInChI=1S/C16H17N/c1-2-6-14(7-3-1)10-11-17-12-15-8-4-5-9-16(15)13-17/h1-9H,10-13H2
InChIKeyIWWCEUWGQRGXFV-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-1,3-dihydroisoindole?
The IUPAC name of 2-(2-phenylethyl)-1,3-dihydroisoindole (CID 14026031) is 2-(2-phenylethyl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(2-phenylethyl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(2-phenylethyl)-1,3-dihydroisoindole is c1ccc(CCN2Cc3ccccc3C2)cc1.
What is the InChIKey of 2-(2-phenylethyl)-1,3-dihydroisoindole?
The InChIKey is IWWCEUWGQRGXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-2-6-14(7-3-1)10-11-17-12-15-8-4-5-9-16(15)13-17/h1-9H,10-13H2.
What are the key properties of 2-(2-phenylethyl)-1,3-dihydroisoindole?
2-(2-phenylethyl)-1,3-dihydroisoindole has a molecular weight of 223.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-1,3-dihydroisoindole is sourced from PubChem (CID 14026031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).