1-(tert-butylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-2-ol

C21H27N3O2 — CID 22015603

IUPAC1-(tert-butylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-2-ol
SMILESCc1cccn2cc(-c3ccc(OCC(O)CNC(C)(C)C)cc3)nc12
InChIInChI=1S/C21H27N3O2/c1-15-6-5-11-24-13-19(23-20(15)24)16-7-9-18(10-8-16)26-14-17(25)12-22-21(2,3)4/h5-11,13,17,22,25H,12,14H2,1-4H3
InChIKeyISAQLXOJYLNPAA-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.44
Rot. Bonds6

About 1-(tert-butylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-2-ol

1-(tert-butylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-2-ol (PubChem CID 22015603) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-2-ol
PubChem CID22015603
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-(tert-butylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-2-ol
SMILESCc1cccn2cc(-c3ccc(OCC(O)CNC(C)(C)C)cc3)nc12
InChIInChI=1S/C21H27N3O2/c1-15-6-5-11-24-13-19(23-20(15)24)16-7-9-18(10-8-16)26-14-17(25)12-22-21(2,3)4/h5-11,13,17,22,25H,12,14H2,1-4H3
InChIKeyISAQLXOJYLNPAA-UHFFFAOYSA-N
XLogP3.44
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(tert-butylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-2-ol with MolForge

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Related Compounds

(2S)-1-(tert-butylamino)-3-(4-iodophenoxy)propan-2-ol
CID 101075385
8-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]imidazo[1,2-a]pyridine
CID 22015632
4-butoxy-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055781
(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787572
(2S)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787574
N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 700051
2-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanol
CID 13216498
N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-N'-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]oxamide
CID 167930482
2-(4-bromophenyl)-8-methylimidazo[1,2-a]pyridine
CID 4715410
1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
CID 70134512
1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 2769824
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-2-ol (CID 22015603) is 1-(tert-butylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-2-ol is Cc1cccn2cc(-c3ccc(OCC(O)CNC(C)(C)C)cc3)nc12.
What is the InChIKey of 1-(tert-butylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-2-ol?
The InChIKey is ISAQLXOJYLNPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-6-5-11-24-13-19(23-20(15)24)16-7-9-18(10-8-16)26-14-17(25)12-22-21(2,3)4/h5-11,13,17,22,25H,12,14H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-2-ol?
1-(tert-butylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-2-ol has a molecular weight of 353.47 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 22015603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).