2-hexyl-1,3-dihydroisoindole;hydrobromide

C14H22BrN — CID 6602811

IUPAC2-hexyl-1,3-dihydroisoindole;hydrobromide
SMILESBr.CCCCCCN1Cc2ccccc2C1
InChIInChI=1S/C14H21N.BrH/c1-2-3-4-7-10-15-11-13-8-5-6-9-14(13)12-15;/h5-6,8-9H,2-4,7,10-12H2,1H3;1H
InChIKeySCFVAEQHZSNIAI-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.16
Rot. Bonds5

About 2-hexyl-1,3-dihydroisoindole;hydrobromide

2-hexyl-1,3-dihydroisoindole;hydrobromide (PubChem CID 6602811) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-hexyl-1,3-dihydroisoindole;hydrobromide.

Molecular Properties

Compound Name2-hexyl-1,3-dihydroisoindole;hydrobromide
PubChem CID6602811
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name2-hexyl-1,3-dihydroisoindole;hydrobromide
SMILESBr.CCCCCCN1Cc2ccccc2C1
InChIInChI=1S/C14H21N.BrH/c1-2-3-4-7-10-15-11-13-8-5-6-9-14(13)12-15;/h5-6,8-9H,2-4,7,10-12H2,1H3;1H
InChIKeySCFVAEQHZSNIAI-UHFFFAOYSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-1,3-dihydroisoindole;hydrobromide?
The IUPAC name of 2-hexyl-1,3-dihydroisoindole;hydrobromide (CID 6602811) is 2-hexyl-1,3-dihydroisoindole;hydrobromide.
What is the SMILES notation for 2-hexyl-1,3-dihydroisoindole;hydrobromide?
The canonical SMILES for 2-hexyl-1,3-dihydroisoindole;hydrobromide is Br.CCCCCCN1Cc2ccccc2C1.
What is the InChIKey of 2-hexyl-1,3-dihydroisoindole;hydrobromide?
The InChIKey is SCFVAEQHZSNIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.BrH/c1-2-3-4-7-10-15-11-13-8-5-6-9-14(13)12-15;/h5-6,8-9H,2-4,7,10-12H2,1H3;1H.
What are the key properties of 2-hexyl-1,3-dihydroisoindole;hydrobromide?
2-hexyl-1,3-dihydroisoindole;hydrobromide has a molecular weight of 284.24 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1,3-dihydroisoindole;hydrobromide is sourced from PubChem (CID 6602811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).