2-[3-(4-tert-butylimidazol-1-yl)phenoxy]ethanamine

C15H21N3O — CID 96687338

IUPAC2-[3-(4-tert-butylimidazol-1-yl)phenoxy]ethanamine
SMILESCC(C)(C)c1cn(-c2cccc(OCCN)c2)cn1
InChIInChI=1S/C15H21N3O/c1-15(2,3)14-10-18(11-17-14)12-5-4-6-13(9-12)19-8-7-16/h4-6,9-11H,7-8,16H2,1-3H3
InChIKeyWRWRXGNMZWQDHN-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.51
Rot. Bonds4

About 2-[3-(4-tert-butylimidazol-1-yl)phenoxy]ethanamine

2-[3-(4-tert-butylimidazol-1-yl)phenoxy]ethanamine (PubChem CID 96687338) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[3-(4-tert-butylimidazol-1-yl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[3-(4-tert-butylimidazol-1-yl)phenoxy]ethanamine
PubChem CID96687338
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[3-(4-tert-butylimidazol-1-yl)phenoxy]ethanamine
SMILESCC(C)(C)c1cn(-c2cccc(OCCN)c2)cn1
InChIInChI=1S/C15H21N3O/c1-15(2,3)14-10-18(11-17-14)12-5-4-6-13(9-12)19-8-7-16/h4-6,9-11H,7-8,16H2,1-3H3
InChIKeyWRWRXGNMZWQDHN-UHFFFAOYSA-N
XLogP2.51
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[2-[3-(1,2,4-triazol-4-yl)phenoxy]ethoxy]phenyl]-1,2,4-triazole
CID 102112326
2-[3-(tetrazol-1-yl)phenoxy]ethanamine
CID 45157260
2-(3-imidazo[4,5-b]pyridin-3-ylphenoxy)ethanamine
CID 82513955
2-[3-(3-ethyl-1,2,4-triazol-4-yl)phenoxy]ethanamine
CID 96687117
2-[3-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine
CID 96687259
3-tert-butyl-1-(3-ethoxyphenyl)pyrazol-5-amine
CID 58011098
2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine
CID 117229758
2-[3-(3,3-diethylazetidin-1-yl)phenoxy]ethanamine
CID 79677781
2-[3-(4-methyl-1,2,4-triazol-3-yl)phenoxy]ethanamine
CID 82472180
2-[3-(3-methylbutoxy)phenoxy]ethanamine
CID 25256004
3-[3-(3-amino-1,2,4-triazol-1-yl)phenoxy]propyl N-tert-butylcarbamate
CID 140550122
2-(4-tert-butylimidazol-1-yl)ethanamine
CID 82512100

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-tert-butylimidazol-1-yl)phenoxy]ethanamine?
The IUPAC name of 2-[3-(4-tert-butylimidazol-1-yl)phenoxy]ethanamine (CID 96687338) is 2-[3-(4-tert-butylimidazol-1-yl)phenoxy]ethanamine.
What is the SMILES notation for 2-[3-(4-tert-butylimidazol-1-yl)phenoxy]ethanamine?
The canonical SMILES for 2-[3-(4-tert-butylimidazol-1-yl)phenoxy]ethanamine is CC(C)(C)c1cn(-c2cccc(OCCN)c2)cn1.
What is the InChIKey of 2-[3-(4-tert-butylimidazol-1-yl)phenoxy]ethanamine?
The InChIKey is WRWRXGNMZWQDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2,3)14-10-18(11-17-14)12-5-4-6-13(9-12)19-8-7-16/h4-6,9-11H,7-8,16H2,1-3H3.
What are the key properties of 2-[3-(4-tert-butylimidazol-1-yl)phenoxy]ethanamine?
2-[3-(4-tert-butylimidazol-1-yl)phenoxy]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-tert-butylimidazol-1-yl)phenoxy]ethanamine is sourced from PubChem (CID 96687338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).