2-(2-bromo-5-chlorophenyl)-1,3-dihydroisoindol-4-amine

C14H12BrClN2 — CID 81275195

IUPAC2-(2-bromo-5-chlorophenyl)-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(c1cc(Cl)ccc1Br)C2
InChIInChI=1S/C14H12BrClN2/c15-12-5-4-10(16)6-14(12)18-7-9-2-1-3-13(17)11(9)8-18/h1-6H,7-8,17H2
InChIKeyFSTUNCANURZCNX-UHFFFAOYSA-N
MW323.62 g/mol
LogP4.20
Rot. Bonds1

About 2-(2-bromo-5-chlorophenyl)-1,3-dihydroisoindol-4-amine

2-(2-bromo-5-chlorophenyl)-1,3-dihydroisoindol-4-amine (PubChem CID 81275195) has the molecular formula C14H12BrClN2 and a molecular weight of 323.62 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-1,3-dihydroisoindol-4-amine
PubChem CID81275195
Molecular FormulaC14H12BrClN2
Molecular Weight323.62 g/mol
Exact Mass321.99
IUPAC Name2-(2-bromo-5-chlorophenyl)-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(c1cc(Cl)ccc1Br)C2
InChIInChI=1S/C14H12BrClN2/c15-12-5-4-10(16)6-14(12)18-7-9-2-1-3-13(17)11(9)8-18/h1-6H,7-8,17H2
InChIKeyFSTUNCANURZCNX-UHFFFAOYSA-N
XLogP4.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-1,3-dihydroisoindol-4-amine (CID 81275195) is 2-(2-bromo-5-chlorophenyl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-1,3-dihydroisoindol-4-amine is Nc1cccc2c1CN(c1cc(Cl)ccc1Br)C2.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-1,3-dihydroisoindol-4-amine?
The InChIKey is FSTUNCANURZCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2/c15-12-5-4-10(16)6-14(12)18-7-9-2-1-3-13(17)11(9)8-18/h1-6H,7-8,17H2.
What are the key properties of 2-(2-bromo-5-chlorophenyl)-1,3-dihydroisoindol-4-amine?
2-(2-bromo-5-chlorophenyl)-1,3-dihydroisoindol-4-amine has a molecular weight of 323.62 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 81275195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).