2-ethyl-1,3-dihydrobenzo[f]isoindole;hydrobromide

C14H16BrN — CID 3045452

IUPAC2-ethyl-1,3-dihydrobenzo[f]isoindole;hydrobromide
SMILESBr.CCN1Cc2cc3ccccc3cc2C1
InChIInChI=1S/C14H15N.BrH/c1-2-15-9-13-7-11-5-3-4-6-12(11)8-14(13)10-15;/h3-8H,2,9-10H2,1H3;1H
InChIKeyWHZNGSBYOLQCKL-UHFFFAOYSA-N
MW278.19 g/mol
LogP3.75
Rot. Bonds1

About 2-ethyl-1,3-dihydrobenzo[f]isoindole;hydrobromide

2-ethyl-1,3-dihydrobenzo[f]isoindole;hydrobromide (PubChem CID 3045452) has the molecular formula C14H16BrN and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-ethyl-1,3-dihydrobenzo[f]isoindole;hydrobromide.

Molecular Properties

Compound Name2-ethyl-1,3-dihydrobenzo[f]isoindole;hydrobromide
PubChem CID3045452
Molecular FormulaC14H16BrN
Molecular Weight278.19 g/mol
Exact Mass277.05
IUPAC Name2-ethyl-1,3-dihydrobenzo[f]isoindole;hydrobromide
SMILESBr.CCN1Cc2cc3ccccc3cc2C1
InChIInChI=1S/C14H15N.BrH/c1-2-15-9-13-7-11-5-3-4-6-12(11)8-14(13)10-15;/h3-8H,2,9-10H2,1H3;1H
InChIKeyWHZNGSBYOLQCKL-UHFFFAOYSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-dihydrobenzo[f]isoindole;hydrobromide?
The IUPAC name of 2-ethyl-1,3-dihydrobenzo[f]isoindole;hydrobromide (CID 3045452) is 2-ethyl-1,3-dihydrobenzo[f]isoindole;hydrobromide.
What is the SMILES notation for 2-ethyl-1,3-dihydrobenzo[f]isoindole;hydrobromide?
The canonical SMILES for 2-ethyl-1,3-dihydrobenzo[f]isoindole;hydrobromide is Br.CCN1Cc2cc3ccccc3cc2C1.
What is the InChIKey of 2-ethyl-1,3-dihydrobenzo[f]isoindole;hydrobromide?
The InChIKey is WHZNGSBYOLQCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.BrH/c1-2-15-9-13-7-11-5-3-4-6-12(11)8-14(13)10-15;/h3-8H,2,9-10H2,1H3;1H.
What are the key properties of 2-ethyl-1,3-dihydrobenzo[f]isoindole;hydrobromide?
2-ethyl-1,3-dihydrobenzo[f]isoindole;hydrobromide has a molecular weight of 278.19 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-dihydrobenzo[f]isoindole;hydrobromide is sourced from PubChem (CID 3045452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).