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

C17H19N3O2 — CID 82055913

IUPAC[8-(3-phenoxypropoxy)imidazo[1,2-a]pyridin-2-yl]methanamine
SMILESNCc1cn2cccc(OCCCOc3ccccc3)c2n1
InChIInChI=1S/C17H19N3O2/c18-12-14-13-20-9-4-8-16(17(20)19-14)22-11-5-10-21-15-6-2-1-3-7-15/h1-4,6-9,13H,5,10-12,18H2
InChIKeyGSEGPDMDSGAPBY-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.64
Rot. Bonds7

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

[8-(3-phenoxypropoxy)imidazo[1,2-a]pyridin-2-yl]methanamine (PubChem CID 82055913) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is [8-(3-phenoxypropoxy)imidazo[1,2-a]pyridin-2-yl]methanamine.

Molecular Properties

Compound Name[8-(3-phenoxypropoxy)imidazo[1,2-a]pyridin-2-yl]methanamine
PubChem CID82055913
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name[8-(3-phenoxypropoxy)imidazo[1,2-a]pyridin-2-yl]methanamine
SMILESNCc1cn2cccc(OCCCOc3ccccc3)c2n1
InChIInChI=1S/C17H19N3O2/c18-12-14-13-20-9-4-8-16(17(20)19-14)22-11-5-10-21-15-6-2-1-3-7-15/h1-4,6-9,13H,5,10-12,18H2
InChIKeyGSEGPDMDSGAPBY-UHFFFAOYSA-N
XLogP2.64
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.64
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

3-[2-(aminomethyl)imidazo[1,2-a]pyridin-8-yl]oxy-N,N-dimethylpropan-1-amine
CID 82055923
(8-phenylmethoxyimidazo[1,2-a]pyridin-2-yl)methanamine
CID 82055890
2-[8-(2-phenylethoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82055648
2-[8-(3-hydroxypropoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82055660
4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutan-1-amine
CID 82146556
4-[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethoxy]aniline
CID 82147716
(8-methylimidazo[1,2-a]pyridin-2-yl)methanamine;dihydrochloride
CID 50988319
2-[8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-2-yl]ethanamine
CID 82055862
8-(3-phenylpropoxy)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82055693
2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanol
CID 82147143
2-[2-(2-aminoethyl)imidazo[1,2-a]pyridin-8-yl]oxy-N,N-diethylacetamide
CID 82055835
1-bromo-2-(3-phenoxypropoxy)benzene
CID 60665314

Frequently Asked Questions

What is the IUPAC name of [8-(3-phenoxypropoxy)imidazo[1,2-a]pyridin-2-yl]methanamine?
The IUPAC name of [8-(3-phenoxypropoxy)imidazo[1,2-a]pyridin-2-yl]methanamine (CID 82055913) is [8-(3-phenoxypropoxy)imidazo[1,2-a]pyridin-2-yl]methanamine.
What is the SMILES notation for [8-(3-phenoxypropoxy)imidazo[1,2-a]pyridin-2-yl]methanamine?
The canonical SMILES for [8-(3-phenoxypropoxy)imidazo[1,2-a]pyridin-2-yl]methanamine is NCc1cn2cccc(OCCCOc3ccccc3)c2n1.
What is the InChIKey of [8-(3-phenoxypropoxy)imidazo[1,2-a]pyridin-2-yl]methanamine?
The InChIKey is GSEGPDMDSGAPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c18-12-14-13-20-9-4-8-16(17(20)19-14)22-11-5-10-21-15-6-2-1-3-7-15/h1-4,6-9,13H,5,10-12,18H2.
What are the key properties of [8-(3-phenoxypropoxy)imidazo[1,2-a]pyridin-2-yl]methanamine?
[8-(3-phenoxypropoxy)imidazo[1,2-a]pyridin-2-yl]methanamine has a molecular weight of 297.36 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3-phenoxypropoxy)imidazo[1,2-a]pyridin-2-yl]methanamine is sourced from PubChem (CID 82055913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).