N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-2-ethoxy-N-methylethanamine

C13H18BrN3O — CID 75518375

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-2-ethoxy-N-methylethanamine
SMILESCCOCCN(C)Cc1cnc2ccc(Br)cn12
InChIInChI=1S/C13H18BrN3O/c1-3-18-7-6-16(2)10-12-8-15-13-5-4-11(14)9-17(12)13/h4-5,8-9H,3,6-7,10H2,1-2H3
InChIKeyOKDCUZDHZSKLID-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.57
Rot. Bonds6

About N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-2-ethoxy-N-methylethanamine

N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-2-ethoxy-N-methylethanamine (PubChem CID 75518375) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-2-ethoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-2-ethoxy-N-methylethanamine
PubChem CID75518375
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-2-ethoxy-N-methylethanamine
SMILESCCOCCN(C)Cc1cnc2ccc(Br)cn12
InChIInChI=1S/C13H18BrN3O/c1-3-18-7-6-16(2)10-12-8-15-13-5-4-11(14)9-17(12)13/h4-5,8-9H,3,6-7,10H2,1-2H3
InChIKeyOKDCUZDHZSKLID-UHFFFAOYSA-N
XLogP2.57
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Bromo-8-methylimidazo(1,2-a)pyridine
CID 5260647
2-Methylimidazo[1,2-a]pyridin-3-amine
CID 15533833
6-Bromo-3-methylimidazo(1,2-a)pyridine
CID 23537418
3-Bromo-2-(ethylsulfanylmethyl)imidazo[1,2-a]pyridine
CID 3388975
6-Methyl-3-(morpholinomethyl)-2-phenylimidazo[1,2-a]pyridine
CID 3594650
7-bromo-1,2-dimethyl-1H-imidazo[4,5-c]pyridine
CID 660774
Methyl 2-[(6-bromo-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 3244857
4-(6-Bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 58221661
6-Bromo-2-(chloromethyl)imidazo[1,2-a]pyridine
CID 11622894
6-Bromoimidazo[1,2-a]pyridin-2-amine
CID 44119296
Imidazo[1,2-a]pyridin-2-ylmethanamine
CID 2771121
2-Methylimidazo[1,2-a]pyridine
CID 136742

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-2-ethoxy-N-methylethanamine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-2-ethoxy-N-methylethanamine (CID 75518375) is N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-2-ethoxy-N-methylethanamine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-2-ethoxy-N-methylethanamine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-2-ethoxy-N-methylethanamine is CCOCCN(C)Cc1cnc2ccc(Br)cn12.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-2-ethoxy-N-methylethanamine?
The InChIKey is OKDCUZDHZSKLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-3-18-7-6-16(2)10-12-8-15-13-5-4-11(14)9-17(12)13/h4-5,8-9H,3,6-7,10H2,1-2H3.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-2-ethoxy-N-methylethanamine?
N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-2-ethoxy-N-methylethanamine has a molecular weight of 312.21 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-2-ethoxy-N-methylethanamine is sourced from PubChem (CID 75518375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).