[3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanamine

C15H18BrN3O — CID 116836659

IUPAC[3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanamine
SMILESCOc1ccc(-c2nc(CN)c3n2CCCC3)cc1Br
InChIInChI=1S/C15H18BrN3O/c1-20-14-6-5-10(8-11(14)16)15-18-12(9-17)13-4-2-3-7-19(13)15/h5-6,8H,2-4,7,9,17H2,1H3
InChIKeyYPIUOIDWQOTAIA-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.12
Rot. Bonds3

About [3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanamine

[3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanamine (PubChem CID 116836659) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is [3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanamine.

Molecular Properties

Compound Name[3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanamine
PubChem CID116836659
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name[3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanamine
SMILESCOc1ccc(-c2nc(CN)c3n2CCCC3)cc1Br
InChIInChI=1S/C15H18BrN3O/c1-20-14-6-5-10(8-11(14)16)15-18-12(9-17)13-4-2-3-7-19(13)15/h5-6,8H,2-4,7,9,17H2,1H3
InChIKeyYPIUOIDWQOTAIA-UHFFFAOYSA-N
XLogP3.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanamine with MolForge

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde
CID 116836747
2-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
CID 116854107
[3-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]methanamine
CID 116984588
[2-(3-bromo-4-methoxyphenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040239
2-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)ethanamine
CID 83648755
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
[2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 106951176
N-(2-methoxyphenyl)-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 22551110
1-(3-bromo-4-methoxyphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79055879
[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]methanamine
CID 82134755
2-(3-bromo-4-methoxyphenyl)-5-[(3-bromo-4-methoxyphenyl)methyl]-4,6-dimethylpyrimidine
CID 21232276
2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62201562

Frequently Asked Questions

What is the IUPAC name of [3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanamine?
The IUPAC name of [3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanamine (CID 116836659) is [3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanamine.
What is the SMILES notation for [3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanamine?
The canonical SMILES for [3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanamine is COc1ccc(-c2nc(CN)c3n2CCCC3)cc1Br.
What is the InChIKey of [3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanamine?
The InChIKey is YPIUOIDWQOTAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-20-14-6-5-10(8-11(14)16)15-18-12(9-17)13-4-2-3-7-19(13)15/h5-6,8H,2-4,7,9,17H2,1H3.
What are the key properties of [3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanamine?
[3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanamine has a molecular weight of 336.23 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanamine is sourced from PubChem (CID 116836659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).