5-bromo-2,3-dihydro-1H-inden-4-amine;5-pyridin-4-yl-2,3-dihydro-1H-inden-4-amine

C23H24BrN3 — CID 157337182

IUPAC5-bromo-2,3-dihydro-1H-inden-4-amine;5-pyridin-4-yl-2,3-dihydro-1H-inden-4-amine
SMILESNc1c(-c2ccncc2)ccc2c1CCC2.Nc1c(Br)ccc2c1CCC2
InChIInChI=1S/C14H14N2.C9H10BrN/c15-14-12-3-1-2-10(12)4-5-13(14)11-6-8-16-9-7-11;10-8-5-4-6-2-1-3-7(6)9(8)11/h4-9H,1-3,15H2;4-5H,1-3,11H2
InChIKeyBFYSRVPIPSKUBN-UHFFFAOYSA-N
MW422.37 g/mol
LogP5.34
Rot. Bonds1

About 5-bromo-2,3-dihydro-1H-inden-4-amine;5-pyridin-4-yl-2,3-dihydro-1H-inden-4-amine

5-bromo-2,3-dihydro-1H-inden-4-amine;5-pyridin-4-yl-2,3-dihydro-1H-inden-4-amine (PubChem CID 157337182) has the molecular formula C23H24BrN3 and a molecular weight of 422.37 g/mol. Its IUPAC name is 5-bromo-2,3-dihydro-1H-inden-4-amine;5-pyridin-4-yl-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound Name5-bromo-2,3-dihydro-1H-inden-4-amine;5-pyridin-4-yl-2,3-dihydro-1H-inden-4-amine
PubChem CID157337182
Molecular FormulaC23H24BrN3
Molecular Weight422.37 g/mol
Exact Mass421.12
IUPAC Name5-bromo-2,3-dihydro-1H-inden-4-amine;5-pyridin-4-yl-2,3-dihydro-1H-inden-4-amine
SMILESNc1c(-c2ccncc2)ccc2c1CCC2.Nc1c(Br)ccc2c1CCC2
InChIInChI=1S/C14H14N2.C9H10BrN/c15-14-12-3-1-2-10(12)4-5-13(14)11-6-8-16-9-7-11;10-8-5-4-6-2-1-3-7(6)9(8)11/h4-9H,1-3,15H2;4-5H,1-3,11H2
InChIKeyBFYSRVPIPSKUBN-UHFFFAOYSA-N
XLogP5.34
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.37
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-fluoro-4-pyridinyl)methyl]-9H-fluoren-1-amine
CID 67569577
1-(3-Bromophenyl)-1-(3-fluoro-4-pyridinyl)isoindol-5-amine
CID 68982353
5-Bromo-4-fluoro-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridine
CID 118857361
5-[(4-Bromophenyl)methylene]-7-methylindeno[3,2-b]pyridine
CID 1719401
7-Bromo-5,8-dimethylisoquinolin-6-amine
CID 14218965
4-(4-Bromophenyl)-2-pyridin-2-yl-6-pyrrolidin-1-ylbenzonitrile
CID 72697034
2-(7-Bromo-9,9-dihexylfluoren-2-yl)pyridine
CID 86070328
2-(7-Bromo-9,9-dibutylfluoren-2-yl)pyridine
CID 139249283
3-Amino-4'-bromo-5-(pyridin-4-yl)biphenyl-2,4-dicarbonitrile
CID 3121096
5-[(4-Bromophenyl)methylidene]-7-methylindeno[1,2-b]pyridine
CID 3429918
4-(7-bromo-9,9-didecyl-9H-2-fluorenyl)pyridine
CID 19078316
6-Bromoisoquinolin-5-amine
CID 22607662

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dihydro-1H-inden-4-amine;5-pyridin-4-yl-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of 5-bromo-2,3-dihydro-1H-inden-4-amine;5-pyridin-4-yl-2,3-dihydro-1H-inden-4-amine (CID 157337182) is 5-bromo-2,3-dihydro-1H-inden-4-amine;5-pyridin-4-yl-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for 5-bromo-2,3-dihydro-1H-inden-4-amine;5-pyridin-4-yl-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for 5-bromo-2,3-dihydro-1H-inden-4-amine;5-pyridin-4-yl-2,3-dihydro-1H-inden-4-amine is Nc1c(-c2ccncc2)ccc2c1CCC2.Nc1c(Br)ccc2c1CCC2.
What is the InChIKey of 5-bromo-2,3-dihydro-1H-inden-4-amine;5-pyridin-4-yl-2,3-dihydro-1H-inden-4-amine?
The InChIKey is BFYSRVPIPSKUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2.C9H10BrN/c15-14-12-3-1-2-10(12)4-5-13(14)11-6-8-16-9-7-11;10-8-5-4-6-2-1-3-7(6)9(8)11/h4-9H,1-3,15H2;4-5H,1-3,11H2.
What are the key properties of 5-bromo-2,3-dihydro-1H-inden-4-amine;5-pyridin-4-yl-2,3-dihydro-1H-inden-4-amine?
5-bromo-2,3-dihydro-1H-inden-4-amine;5-pyridin-4-yl-2,3-dihydro-1H-inden-4-amine has a molecular weight of 422.37 g/mol, XLogP of 5.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dihydro-1H-inden-4-amine;5-pyridin-4-yl-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 157337182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).