1-ethyl-2-methyl-1,3-dihydroisoindole

C11H15N — CID 15401610

IUPAC1-ethyl-2-methyl-1,3-dihydroisoindole
SMILESCCC1c2ccccc2CN1C
InChIInChI=1S/C11H15N/c1-3-11-10-7-5-4-6-9(10)8-12(11)2/h4-7,11H,3,8H2,1-2H3
InChIKeyLZDMMHSYTGNXJA-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.58
Rot. Bonds1

About 1-ethyl-2-methyl-1,3-dihydroisoindole

1-ethyl-2-methyl-1,3-dihydroisoindole (PubChem CID 15401610) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-ethyl-2-methyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name1-ethyl-2-methyl-1,3-dihydroisoindole
PubChem CID15401610
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1-ethyl-2-methyl-1,3-dihydroisoindole
SMILESCCC1c2ccccc2CN1C
InChIInChI=1S/C11H15N/c1-3-11-10-7-5-4-6-9(10)8-12(11)2/h4-7,11H,3,8H2,1-2H3
InChIKeyLZDMMHSYTGNXJA-UHFFFAOYSA-N
XLogP2.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-1,3-dihydroisoindole?
The IUPAC name of 1-ethyl-2-methyl-1,3-dihydroisoindole (CID 15401610) is 1-ethyl-2-methyl-1,3-dihydroisoindole.
What is the SMILES notation for 1-ethyl-2-methyl-1,3-dihydroisoindole?
The canonical SMILES for 1-ethyl-2-methyl-1,3-dihydroisoindole is CCC1c2ccccc2CN1C.
What is the InChIKey of 1-ethyl-2-methyl-1,3-dihydroisoindole?
The InChIKey is LZDMMHSYTGNXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-3-11-10-7-5-4-6-9(10)8-12(11)2/h4-7,11H,3,8H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-1,3-dihydroisoindole?
1-ethyl-2-methyl-1,3-dihydroisoindole has a molecular weight of 161.25 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-1,3-dihydroisoindole is sourced from PubChem (CID 15401610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).