4-[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethoxy]aniline

C16H17N3O2 — CID 82147716

IUPAC4-[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethoxy]aniline
SMILESCc1cn2cccc(OCCOc3ccc(N)cc3)c2n1
InChIInChI=1S/C16H17N3O2/c1-12-11-19-8-2-3-15(16(19)18-12)21-10-9-20-14-6-4-13(17)5-7-14/h2-8,11H,9-10,17H2,1H3
InChIKeyXBUDMJZFKYHAPE-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.68
Rot. Bonds5

About 4-[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethoxy]aniline

4-[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethoxy]aniline (PubChem CID 82147716) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethoxy]aniline.

Molecular Properties

Compound Name4-[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethoxy]aniline
PubChem CID82147716
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethoxy]aniline
SMILESCc1cn2cccc(OCCOc3ccc(N)cc3)c2n1
InChIInChI=1S/C16H17N3O2/c1-12-11-19-8-2-3-15(16(19)18-12)21-10-9-20-14-6-4-13(17)5-7-14/h2-8,11H,9-10,17H2,1H3
InChIKeyXBUDMJZFKYHAPE-UHFFFAOYSA-N
XLogP2.68
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutan-1-amine
CID 82146556
2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanol
CID 82147143
[8-(3-phenoxypropoxy)imidazo[1,2-a]pyridin-2-yl]methanamine
CID 82055913
N-[(4-methoxyphenyl)methyl]-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110496780
3-[2-(aminomethyl)imidazo[1,2-a]pyridin-8-yl]oxy-N,N-dimethylpropan-1-amine
CID 82055923
N-(2,6-dichlorophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110500214
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
N-butyl-N-ethyl-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110498290
5-butylidene-3-[4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutyl]-1,3-thiazolidine-2,4-dione
CID 57040647
3-hydroxy-2-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]butanoic acid
CID 110496815
N-[2-(4-hydroxyphenyl)ethyl]-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110496747
5-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid
CID 110500173

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethoxy]aniline?
The IUPAC name of 4-[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethoxy]aniline (CID 82147716) is 4-[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethoxy]aniline.
What is the SMILES notation for 4-[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethoxy]aniline?
The canonical SMILES for 4-[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethoxy]aniline is Cc1cn2cccc(OCCOc3ccc(N)cc3)c2n1.
What is the InChIKey of 4-[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethoxy]aniline?
The InChIKey is XBUDMJZFKYHAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12-11-19-8-2-3-15(16(19)18-12)21-10-9-20-14-6-4-13(17)5-7-14/h2-8,11H,9-10,17H2,1H3.
What are the key properties of 4-[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethoxy]aniline?
4-[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethoxy]aniline has a molecular weight of 283.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethoxy]aniline is sourced from PubChem (CID 82147716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).