[8-[2-(3-methylphenoxy)ethoxy]imidazo[1,2-a]pyridin-3-yl]methanamine

C17H19N3O2 — CID 82056333

IUPAC[8-[2-(3-methylphenoxy)ethoxy]imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESCc1cccc(OCCOc2cccn3c(CN)cnc23)c1
InChIInChI=1S/C17H19N3O2/c1-13-4-2-5-15(10-13)21-8-9-22-16-6-3-7-20-14(11-18)12-19-17(16)20/h2-7,10,12H,8-9,11,18H2,1H3
InChIKeyKCBBMUSIKHZPGT-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.56
Rot. Bonds6

About [8-[2-(3-methylphenoxy)ethoxy]imidazo[1,2-a]pyridin-3-yl]methanamine

[8-[2-(3-methylphenoxy)ethoxy]imidazo[1,2-a]pyridin-3-yl]methanamine (PubChem CID 82056333) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is [8-[2-(3-methylphenoxy)ethoxy]imidazo[1,2-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[8-[2-(3-methylphenoxy)ethoxy]imidazo[1,2-a]pyridin-3-yl]methanamine
PubChem CID82056333
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name[8-[2-(3-methylphenoxy)ethoxy]imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESCc1cccc(OCCOc2cccn3c(CN)cnc23)c1
InChIInChI=1S/C17H19N3O2/c1-13-4-2-5-15(10-13)21-8-9-22-16-6-3-7-20-14(11-18)12-19-17(16)20/h2-7,10,12H,8-9,11,18H2,1H3
InChIKeyKCBBMUSIKHZPGT-UHFFFAOYSA-N
XLogP2.56
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[8-[(2-methylphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]methanamine
CID 82056321
(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)methanamine
CID 82056314
[8-[(3-chlorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]methanamine
CID 82056319
2-[8-[(2,5-dimethylphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 15280862
2-(aminomethyl)-5-[2-(3-methylphenoxy)ethoxy]pyran-4-one
CID 82064033
(8-chloroimidazo[1,2-a]pyridin-3-yl)methanamine
CID 55266455
2-(aminomethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one
CID 82063932
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
2-[3-(aminomethyl)imidazo[1,2-a]pyridin-8-yl]oxy-N-butylacetamide
CID 82056308
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
3-[2-(3-methylphenoxy)ethylsulfanyl]imidazo[1,5-a]pyridine
CID 47096251
methyl 3-(aminomethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256872

Frequently Asked Questions

What is the IUPAC name of [8-[2-(3-methylphenoxy)ethoxy]imidazo[1,2-a]pyridin-3-yl]methanamine?
The IUPAC name of [8-[2-(3-methylphenoxy)ethoxy]imidazo[1,2-a]pyridin-3-yl]methanamine (CID 82056333) is [8-[2-(3-methylphenoxy)ethoxy]imidazo[1,2-a]pyridin-3-yl]methanamine.
What is the SMILES notation for [8-[2-(3-methylphenoxy)ethoxy]imidazo[1,2-a]pyridin-3-yl]methanamine?
The canonical SMILES for [8-[2-(3-methylphenoxy)ethoxy]imidazo[1,2-a]pyridin-3-yl]methanamine is Cc1cccc(OCCOc2cccn3c(CN)cnc23)c1.
What is the InChIKey of [8-[2-(3-methylphenoxy)ethoxy]imidazo[1,2-a]pyridin-3-yl]methanamine?
The InChIKey is KCBBMUSIKHZPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-4-2-5-15(10-13)21-8-9-22-16-6-3-7-20-14(11-18)12-19-17(16)20/h2-7,10,12H,8-9,11,18H2,1H3.
What are the key properties of [8-[2-(3-methylphenoxy)ethoxy]imidazo[1,2-a]pyridin-3-yl]methanamine?
[8-[2-(3-methylphenoxy)ethoxy]imidazo[1,2-a]pyridin-3-yl]methanamine has a molecular weight of 297.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[2-(3-methylphenoxy)ethoxy]imidazo[1,2-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 82056333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).