N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-5-methylpyridin-3-amine

C15H15BrN2 — CID 103932343

IUPACN-(4-bromo-2,3-dihydro-1H-inden-1-yl)-5-methylpyridin-3-amine
SMILESCc1cncc(NC2CCc3c(Br)cccc32)c1
InChIInChI=1S/C15H15BrN2/c1-10-7-11(9-17-8-10)18-15-6-5-12-13(15)3-2-4-14(12)16/h2-4,7-9,15,18H,5-6H2,1H3
InChIKeyPAQXOPSYJLQEAN-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.25
Rot. Bonds2

About N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-5-methylpyridin-3-amine

N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-5-methylpyridin-3-amine (PubChem CID 103932343) has the molecular formula C15H15BrN2 and a molecular weight of 303.20 g/mol. Its IUPAC name is N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-5-methylpyridin-3-amine.

Molecular Properties

Compound NameN-(4-bromo-2,3-dihydro-1H-inden-1-yl)-5-methylpyridin-3-amine
PubChem CID103932343
Molecular FormulaC15H15BrN2
Molecular Weight303.20 g/mol
Exact Mass302.04
IUPAC NameN-(4-bromo-2,3-dihydro-1H-inden-1-yl)-5-methylpyridin-3-amine
SMILESCc1cncc(NC2CCc3c(Br)cccc32)c1
InChIInChI=1S/C15H15BrN2/c1-10-7-11(9-17-8-10)18-15-6-5-12-13(15)3-2-4-14(12)16/h2-4,7-9,15,18H,5-6H2,1H3
InChIKeyPAQXOPSYJLQEAN-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-5-methylpyridin-3-amine
CID 103932297
3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide
CID 103846407
4-bromo-N-[4-[(dimethylamino)methyl]phenyl]-2,3-dihydro-1H-inden-1-amine
CID 103931051
N-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 107584839
4-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxybenzonitrile
CID 146294647
4-bromo-N-(2-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 103930811
4-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-chlorobenzamide
CID 103846432
N-(9H-fluoren-9-yl)-5-methylpyridin-3-amine
CID 103952293
4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103910649
N-(3-bromo-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 104776130
4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine
CID 115763577
5-methyl-N-(4-phenylcyclohexyl)pyridin-3-amine
CID 107584855

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-5-methylpyridin-3-amine?
The IUPAC name of N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-5-methylpyridin-3-amine (CID 103932343) is N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-5-methylpyridin-3-amine.
What is the SMILES notation for N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-5-methylpyridin-3-amine?
The canonical SMILES for N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-5-methylpyridin-3-amine is Cc1cncc(NC2CCc3c(Br)cccc32)c1.
What is the InChIKey of N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-5-methylpyridin-3-amine?
The InChIKey is PAQXOPSYJLQEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2/c1-10-7-11(9-17-8-10)18-15-6-5-12-13(15)3-2-4-14(12)16/h2-4,7-9,15,18H,5-6H2,1H3.
What are the key properties of N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-5-methylpyridin-3-amine?
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-5-methylpyridin-3-amine has a molecular weight of 303.20 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-5-methylpyridin-3-amine is sourced from PubChem (CID 103932343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).