2-[6-(4-bromo-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]ethanamine

C16H20BrN3 — CID 84609944

IUPAC2-[6-(4-bromo-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]ethanamine
SMILESCc1cc(C2CCc3cnc(CCN)n3C2)ccc1Br
InChIInChI=1S/C16H20BrN3/c1-11-8-12(3-5-15(11)17)13-2-4-14-9-19-16(6-7-18)20(14)10-13/h3,5,8-9,13H,2,4,6-7,10,18H2,1H3
InChIKeyXSRPEVQPZBNFHC-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.19
Rot. Bonds3

About 2-[6-(4-bromo-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]ethanamine

2-[6-(4-bromo-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]ethanamine (PubChem CID 84609944) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-[6-(4-bromo-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(4-bromo-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]ethanamine
PubChem CID84609944
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name2-[6-(4-bromo-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]ethanamine
SMILESCc1cc(C2CCc3cnc(CCN)n3C2)ccc1Br
InChIInChI=1S/C16H20BrN3/c1-11-8-12(3-5-15(11)17)13-2-4-14-9-19-16(6-7-18)20(14)10-13/h3,5,8-9,13H,2,4,6-7,10,18H2,1H3
InChIKeyXSRPEVQPZBNFHC-UHFFFAOYSA-N
XLogP3.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-bromo-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]ethanamine?
The IUPAC name of 2-[6-(4-bromo-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]ethanamine (CID 84609944) is 2-[6-(4-bromo-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[6-(4-bromo-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-[6-(4-bromo-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]ethanamine is Cc1cc(C2CCc3cnc(CCN)n3C2)ccc1Br.
What is the InChIKey of 2-[6-(4-bromo-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]ethanamine?
The InChIKey is XSRPEVQPZBNFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-11-8-12(3-5-15(11)17)13-2-4-14-9-19-16(6-7-18)20(14)10-13/h3,5,8-9,13H,2,4,6-7,10,18H2,1H3.
What are the key properties of 2-[6-(4-bromo-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]ethanamine?
2-[6-(4-bromo-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]ethanamine has a molecular weight of 334.26 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-bromo-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]ethanamine is sourced from PubChem (CID 84609944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).