(1R)-1-[4-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]ethanamine

C16H16BrN3O — CID 102946838

IUPAC(1R)-1-[4-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Br)cc1OCc1cn2ccccc2n1
InChIInChI=1S/C16H16BrN3O/c1-11(18)14-6-5-12(17)8-15(14)21-10-13-9-20-7-3-2-4-16(20)19-13/h2-9,11H,10,18H2,1H3/t11-/m1/s1
InChIKeyITBWGPGLAWBPGM-LLVKDONJSA-N
MW346.23 g/mol
LogP3.70
Rot. Bonds4

About (1R)-1-[4-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]ethanamine

(1R)-1-[4-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]ethanamine (PubChem CID 102946838) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is (1R)-1-[4-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]ethanamine
PubChem CID102946838
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name(1R)-1-[4-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Br)cc1OCc1cn2ccccc2n1
InChIInChI=1S/C16H16BrN3O/c1-11(18)14-6-5-12(17)8-15(14)21-10-13-9-20-7-3-2-4-16(20)19-13/h2-9,11H,10,18H2,1H3/t11-/m1/s1
InChIKeyITBWGPGLAWBPGM-LLVKDONJSA-N
XLogP3.70
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(imidazo[1,2-a]pyridin-2-ylmethoxy)-5-methylphenyl]ethanamine
CID 60888457
2-[(4-bromo-2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 112779233
1-[4-fluoro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]ethanol
CID 63069251
(1R)-1-[4-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 102946545
2-[(2-bromo-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine
CID 28602482
(1R)-1-[2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propan-1-ol
CID 78933268
2-[(2-chloro-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine
CID 170746842
(1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine
CID 102946671
2-[(1-bromonaphthalen-2-yl)oxymethyl]imidazo[1,2-a]pyridine
CID 1184382
(1R)-1-[4-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 102946677
4,5-dichloro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline
CID 107497897
1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
CID 102946267

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]ethanamine (CID 102946838) is (1R)-1-[4-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]ethanamine is C[C@@H](N)c1ccc(Br)cc1OCc1cn2ccccc2n1.
What is the InChIKey of (1R)-1-[4-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]ethanamine?
The InChIKey is ITBWGPGLAWBPGM-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16BrN3O/c1-11(18)14-6-5-12(17)8-15(14)21-10-13-9-20-7-3-2-4-16(20)19-13/h2-9,11H,10,18H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]ethanamine?
(1R)-1-[4-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]ethanamine has a molecular weight of 346.23 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 102946838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).