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

C15H15BrN2 — CID 43175755

IUPAC2-(2-bromo-4-methylphenyl)-1,3-dihydroisoindol-5-amine
SMILESCc1ccc(N2Cc3ccc(N)cc3C2)c(Br)c1
InChIInChI=1S/C15H15BrN2/c1-10-2-5-15(14(16)6-10)18-8-11-3-4-13(17)7-12(11)9-18/h2-7H,8-9,17H2,1H3
InChIKeyHAMPXOCJZNKEKK-UHFFFAOYSA-N
MW303.20 g/mol
LogP3.86
Rot. Bonds1

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

2-(2-bromo-4-methylphenyl)-1,3-dihydroisoindol-5-amine (PubChem CID 43175755) has the molecular formula C15H15BrN2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenyl)-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenyl)-1,3-dihydroisoindol-5-amine
PubChem CID43175755
Molecular FormulaC15H15BrN2
Molecular Weight303.20 g/mol
Exact Mass302.04
IUPAC Name2-(2-bromo-4-methylphenyl)-1,3-dihydroisoindol-5-amine
SMILESCc1ccc(N2Cc3ccc(N)cc3C2)c(Br)c1
InChIInChI=1S/C15H15BrN2/c1-10-2-5-15(14(16)6-10)18-8-11-3-4-13(17)7-12(11)9-18/h2-7H,8-9,17H2,1H3
InChIKeyHAMPXOCJZNKEKK-UHFFFAOYSA-N
XLogP3.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.86
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-(2-bromo-4-methylphenyl)-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-(2-bromo-4-methylphenyl)-1,3-dihydroisoindol-5-amine (CID 43175755) is 2-(2-bromo-4-methylphenyl)-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-(2-bromo-4-methylphenyl)-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-(2-bromo-4-methylphenyl)-1,3-dihydroisoindol-5-amine is Cc1ccc(N2Cc3ccc(N)cc3C2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenyl)-1,3-dihydroisoindol-5-amine?
The InChIKey is HAMPXOCJZNKEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2/c1-10-2-5-15(14(16)6-10)18-8-11-3-4-13(17)7-12(11)9-18/h2-7H,8-9,17H2,1H3.
What are the key properties of 2-(2-bromo-4-methylphenyl)-1,3-dihydroisoindol-5-amine?
2-(2-bromo-4-methylphenyl)-1,3-dihydroisoindol-5-amine has a molecular weight of 303.20 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenyl)-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 43175755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).