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

C14H16BrN3 — CID 116984588

IUPAC[3-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]methanamine
SMILESNCc1cccc(-c2nc(Br)c3n2CCCC3)c1
InChIInChI=1S/C14H16BrN3/c15-13-12-6-1-2-7-18(12)14(17-13)11-5-3-4-10(8-11)9-16/h3-5,8H,1-2,6-7,9,16H2
InChIKeyFFUKLEUOLAGLMJ-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.11
Rot. Bonds2

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

[3-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]methanamine (PubChem CID 116984588) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is [3-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]methanamine
PubChem CID116984588
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name[3-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]methanamine
SMILESNCc1cccc(-c2nc(Br)c3n2CCCC3)c1
InChIInChI=1S/C14H16BrN3/c15-13-12-6-1-2-7-18(12)14(17-13)11-5-3-4-10(8-11)9-16/h3-5,8H,1-2,6-7,9,16H2
InChIKeyFFUKLEUOLAGLMJ-UHFFFAOYSA-N
XLogP3.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanol
CID 116836872
1-bromo-3-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 116836759
[3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanamine
CID 116836659
2-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)ethanamine
CID 83648755
[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methanamine
CID 84734776
3-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol
CID 117249982
[3-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine
CID 61032630
1-bromo-7-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117249314
4-[3-(aminomethyl)phenyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)benzamide
CID 166362554
1-bromo-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117249297
(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methanethiol
CID 117247227
3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde
CID 116836747

Frequently Asked Questions

What is the IUPAC name of [3-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]methanamine?
The IUPAC name of [3-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]methanamine (CID 116984588) is [3-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]methanamine.
What is the SMILES notation for [3-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]methanamine?
The canonical SMILES for [3-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]methanamine is NCc1cccc(-c2nc(Br)c3n2CCCC3)c1.
What is the InChIKey of [3-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]methanamine?
The InChIKey is FFUKLEUOLAGLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c15-13-12-6-1-2-7-18(12)14(17-13)11-5-3-4-10(8-11)9-16/h3-5,8H,1-2,6-7,9,16H2.
What are the key properties of [3-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]methanamine?
[3-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]methanamine has a molecular weight of 306.21 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]methanamine is sourced from PubChem (CID 116984588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).