2-ethyl-4-propan-2-ylisoindole

C13H17N — CID 175615626

IUPAC2-ethyl-4-propan-2-ylisoindole
SMILESCCn1cc2cccc(C(C)C)c2c1
InChIInChI=1S/C13H17N/c1-4-14-8-11-6-5-7-12(10(2)3)13(11)9-14/h5-10H,4H2,1-3H3
InChIKeyXNKJBUBYWFSVTH-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.78
Rot. Bonds2

About 2-ethyl-4-propan-2-ylisoindole

2-ethyl-4-propan-2-ylisoindole (PubChem CID 175615626) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-ethyl-4-propan-2-ylisoindole.

Molecular Properties

Compound Name2-ethyl-4-propan-2-ylisoindole
PubChem CID175615626
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-ethyl-4-propan-2-ylisoindole
SMILESCCn1cc2cccc(C(C)C)c2c1
InChIInChI=1S/C13H17N/c1-4-14-8-11-6-5-7-12(10(2)3)13(11)9-14/h5-10H,4H2,1-3H3
InChIKeyXNKJBUBYWFSVTH-UHFFFAOYSA-N
XLogP3.78
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-4-propan-2-ylisoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-propan-2-ylisoindole?
The IUPAC name of 2-ethyl-4-propan-2-ylisoindole (CID 175615626) is 2-ethyl-4-propan-2-ylisoindole.
What is the SMILES notation for 2-ethyl-4-propan-2-ylisoindole?
The canonical SMILES for 2-ethyl-4-propan-2-ylisoindole is CCn1cc2cccc(C(C)C)c2c1.
What is the InChIKey of 2-ethyl-4-propan-2-ylisoindole?
The InChIKey is XNKJBUBYWFSVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-4-14-8-11-6-5-7-12(10(2)3)13(11)9-14/h5-10H,4H2,1-3H3.
What are the key properties of 2-ethyl-4-propan-2-ylisoindole?
2-ethyl-4-propan-2-ylisoindole has a molecular weight of 187.29 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-propan-2-ylisoindole is sourced from PubChem (CID 175615626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).