2-(3-bromo-5-methoxyphenyl)-1,3-dihydroisoindol-5-amine

C15H15BrN2O — CID 82860482

IUPAC2-(3-bromo-5-methoxyphenyl)-1,3-dihydroisoindol-5-amine
SMILESCOc1cc(Br)cc(N2Cc3ccc(N)cc3C2)c1
InChIInChI=1S/C15H15BrN2O/c1-19-15-6-12(16)5-14(7-15)18-8-10-2-3-13(17)4-11(10)9-18/h2-7H,8-9,17H2,1H3
InChIKeyZEIDRTNFVVLCCW-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.56
Rot. Bonds2

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

2-(3-bromo-5-methoxyphenyl)-1,3-dihydroisoindol-5-amine (PubChem CID 82860482) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-(3-bromo-5-methoxyphenyl)-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-(3-bromo-5-methoxyphenyl)-1,3-dihydroisoindol-5-amine
PubChem CID82860482
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name2-(3-bromo-5-methoxyphenyl)-1,3-dihydroisoindol-5-amine
SMILESCOc1cc(Br)cc(N2Cc3ccc(N)cc3C2)c1
InChIInChI=1S/C15H15BrN2O/c1-19-15-6-12(16)5-14(7-15)18-8-10-2-3-13(17)4-11(10)9-18/h2-7H,8-9,17H2,1H3
InChIKeyZEIDRTNFVVLCCW-UHFFFAOYSA-N
XLogP3.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-bromo-5-methoxyphenyl)-1,3-dihydroisoindol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methoxyphenyl)-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-(3-bromo-5-methoxyphenyl)-1,3-dihydroisoindol-5-amine (CID 82860482) is 2-(3-bromo-5-methoxyphenyl)-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-(3-bromo-5-methoxyphenyl)-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-(3-bromo-5-methoxyphenyl)-1,3-dihydroisoindol-5-amine is COc1cc(Br)cc(N2Cc3ccc(N)cc3C2)c1.
What is the InChIKey of 2-(3-bromo-5-methoxyphenyl)-1,3-dihydroisoindol-5-amine?
The InChIKey is ZEIDRTNFVVLCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-19-15-6-12(16)5-14(7-15)18-8-10-2-3-13(17)4-11(10)9-18/h2-7H,8-9,17H2,1H3.
What are the key properties of 2-(3-bromo-5-methoxyphenyl)-1,3-dihydroisoindol-5-amine?
2-(3-bromo-5-methoxyphenyl)-1,3-dihydroisoindol-5-amine has a molecular weight of 319.20 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-methoxyphenyl)-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 82860482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).