3-(bromomethyl)-N-(2-methoxyethyl)-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine

C14H20BrN3O — CID 107084898

IUPAC3-(bromomethyl)-N-(2-methoxyethyl)-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine
SMILESCOCCN(c1nc2ccccn2c1CBr)C(C)C
InChIInChI=1S/C14H20BrN3O/c1-11(2)17(8-9-19-3)14-12(10-15)18-7-5-4-6-13(18)16-14/h4-7,11H,8-10H2,1-3H3
InChIKeyNEJSPUYXUYEURN-UHFFFAOYSA-N
MW326.24 g/mol
LogP3.09
Rot. Bonds6

About 3-(bromomethyl)-N-(2-methoxyethyl)-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine

3-(bromomethyl)-N-(2-methoxyethyl)-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine (PubChem CID 107084898) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 3-(bromomethyl)-N-(2-methoxyethyl)-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-(bromomethyl)-N-(2-methoxyethyl)-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine
PubChem CID107084898
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name3-(bromomethyl)-N-(2-methoxyethyl)-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine
SMILESCOCCN(c1nc2ccccn2c1CBr)C(C)C
InChIInChI=1S/C14H20BrN3O/c1-11(2)17(8-9-19-3)14-12(10-15)18-7-5-4-6-13(18)16-14/h4-7,11H,8-10H2,1-3H3
InChIKeyNEJSPUYXUYEURN-UHFFFAOYSA-N
XLogP3.09
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-[bis(2-methoxyethyl)amino]imidazo[1,2-a]pyridin-3-yl]methanol
CID 61418588
3-(2-aminoethyl)-N,N-bis(2-methoxyethyl)imidazo[1,2-a]pyridin-2-amine
CID 63786540
3-(bromomethyl)-N-methyl-N-pentylimidazo[1,2-a]pyridin-2-amine
CID 107080119
3-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-2-amine
CID 107084185
3-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-methylamino]propanenitrile
CID 107079501
3-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-2-amine
CID 63815991
3-[(cyclopropylamino)methyl]-N-propan-2-yl-N-propylimidazo[1,2-a]pyridin-2-amine
CID 43478425
3-N-(2-methoxyethyl)-3-N-propan-2-ylquinoxaline-2,3-diamine
CID 102987053
[2-[methyl(propan-2-yl)amino]imidazo[1,2-a]pyridin-3-yl]methanol
CID 43478078
5-(bromomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 107082047
[2-[2-methoxyethyl(propan-2-yl)amino]quinolin-3-yl]methanol
CID 82951995
3-(2-aminoethyl)-N-(3-methoxypropyl)-N-methylimidazo[1,2-a]pyridin-2-amine
CID 55237360

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-N-(2-methoxyethyl)-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-(bromomethyl)-N-(2-methoxyethyl)-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine (CID 107084898) is 3-(bromomethyl)-N-(2-methoxyethyl)-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 3-(bromomethyl)-N-(2-methoxyethyl)-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-(bromomethyl)-N-(2-methoxyethyl)-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine is COCCN(c1nc2ccccn2c1CBr)C(C)C.
What is the InChIKey of 3-(bromomethyl)-N-(2-methoxyethyl)-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine?
The InChIKey is NEJSPUYXUYEURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-11(2)17(8-9-19-3)14-12(10-15)18-7-5-4-6-13(18)16-14/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 3-(bromomethyl)-N-(2-methoxyethyl)-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine?
3-(bromomethyl)-N-(2-methoxyethyl)-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine has a molecular weight of 326.24 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-N-(2-methoxyethyl)-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 107084898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).