2-(4-bromo-2,6-dichlorophenyl)-1,3-dihydroisoindol-4-amine

C14H11BrCl2N2 — CID 43175726

IUPAC2-(4-bromo-2,6-dichlorophenyl)-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(c1c(Cl)cc(Br)cc1Cl)C2
InChIInChI=1S/C14H11BrCl2N2/c15-9-4-11(16)14(12(17)5-9)19-6-8-2-1-3-13(18)10(8)7-19/h1-5H,6-7,18H2
InChIKeyVUWGHKXIYFGDEL-UHFFFAOYSA-N
MW358.07 g/mol
LogP4.86
Rot. Bonds1

About 2-(4-bromo-2,6-dichlorophenyl)-1,3-dihydroisoindol-4-amine

2-(4-bromo-2,6-dichlorophenyl)-1,3-dihydroisoindol-4-amine (PubChem CID 43175726) has the molecular formula C14H11BrCl2N2 and a molecular weight of 358.07 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dichlorophenyl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-(4-bromo-2,6-dichlorophenyl)-1,3-dihydroisoindol-4-amine
PubChem CID43175726
Molecular FormulaC14H11BrCl2N2
Molecular Weight358.07 g/mol
Exact Mass355.95
IUPAC Name2-(4-bromo-2,6-dichlorophenyl)-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(c1c(Cl)cc(Br)cc1Cl)C2
InChIInChI=1S/C14H11BrCl2N2/c15-9-4-11(16)14(12(17)5-9)19-6-8-2-1-3-13(18)10(8)7-19/h1-5H,6-7,18H2
InChIKeyVUWGHKXIYFGDEL-UHFFFAOYSA-N
XLogP4.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.07
LogP ≤ 54.86
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-(4-bromo-2,6-dichlorophenyl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-(4-bromo-2,6-dichlorophenyl)-1,3-dihydroisoindol-4-amine (CID 43175726) is 2-(4-bromo-2,6-dichlorophenyl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-(4-bromo-2,6-dichlorophenyl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-(4-bromo-2,6-dichlorophenyl)-1,3-dihydroisoindol-4-amine is Nc1cccc2c1CN(c1c(Cl)cc(Br)cc1Cl)C2.
What is the InChIKey of 2-(4-bromo-2,6-dichlorophenyl)-1,3-dihydroisoindol-4-amine?
The InChIKey is VUWGHKXIYFGDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2/c15-9-4-11(16)14(12(17)5-9)19-6-8-2-1-3-13(18)10(8)7-19/h1-5H,6-7,18H2.
What are the key properties of 2-(4-bromo-2,6-dichlorophenyl)-1,3-dihydroisoindol-4-amine?
2-(4-bromo-2,6-dichlorophenyl)-1,3-dihydroisoindol-4-amine has a molecular weight of 358.07 g/mol, XLogP of 4.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dichlorophenyl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 43175726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).