2-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine

C14H20BrN3O — CID 154958995

IUPAC2-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine
SMILESCC(C)(C)OCNCCc1cnc2ccc(Br)cn12
InChIInChI=1S/C14H20BrN3O/c1-14(2,3)19-10-16-7-6-12-8-17-13-5-4-11(15)9-18(12)13/h4-5,8-9,16H,6-7,10H2,1-3H3
InChIKeySHNGKMHFESVLEG-UHFFFAOYSA-N
MW326.24 g/mol
LogP3.00
Rot. Bonds5

About 2-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine

2-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine (PubChem CID 154958995) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine.

Molecular Properties

Compound Name2-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine
PubChem CID154958995
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine
SMILESCC(C)(C)OCNCCc1cnc2ccc(Br)cn12
InChIInChI=1S/C14H20BrN3O/c1-14(2,3)19-10-16-7-6-12-8-17-13-5-4-11(15)9-18(12)13/h4-5,8-9,16H,6-7,10H2,1-3H3
InChIKeySHNGKMHFESVLEG-UHFFFAOYSA-N
XLogP3.00
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine?
The IUPAC name of 2-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine (CID 154958995) is 2-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine.
What is the SMILES notation for 2-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine?
The canonical SMILES for 2-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine is CC(C)(C)OCNCCc1cnc2ccc(Br)cn12.
What is the InChIKey of 2-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine?
The InChIKey is SHNGKMHFESVLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-14(2,3)19-10-16-7-6-12-8-17-13-5-4-11(15)9-18(12)13/h4-5,8-9,16H,6-7,10H2,1-3H3.
What are the key properties of 2-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine?
2-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine has a molecular weight of 326.24 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine is sourced from PubChem (CID 154958995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).