2-[3-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine

C14H19N3O — CID 96687259

IUPAC2-[3-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine
SMILESCC(C)c1cncn1-c1cccc(OCCN)c1
InChIInChI=1S/C14H19N3O/c1-11(2)14-9-16-10-17(14)12-4-3-5-13(8-12)18-7-6-15/h3-5,8-11H,6-7,15H2,1-2H3
InChIKeyCPCUHJSQPPIFER-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.33
Rot. Bonds5

About 2-[3-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine

2-[3-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine (PubChem CID 96687259) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[3-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[3-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine
PubChem CID96687259
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[3-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine
SMILESCC(C)c1cncn1-c1cccc(OCCN)c1
InChIInChI=1S/C14H19N3O/c1-11(2)14-9-16-10-17(14)12-4-3-5-13(8-12)18-7-6-15/h3-5,8-11H,6-7,15H2,1-2H3
InChIKeyCPCUHJSQPPIFER-UHFFFAOYSA-N
XLogP2.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine
CID 96687258
1-[3-(3-phenoxyphenyl)imidazol-4-yl]ethanamine
CID 114704938
2-[3-(3-ethyl-1,2,4-triazol-4-yl)phenoxy]ethanamine
CID 96687117
2-[3-(3-methylphenyl)imidazol-4-yl]propan-1-amine
CID 83886796
3-methyl-2-[3-(3-propan-2-ylphenyl)imidazol-4-yl]butan-1-amine
CID 107444011
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
2-(3-imidazo[4,5-b]pyridin-3-ylphenoxy)ethanamine
CID 82513955
2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]ethanamine
CID 114719746
2-[3-(3-methylbutoxy)phenoxy]ethanamine
CID 25256004
[3-(3-methoxyphenyl)imidazol-4-yl]methanamine
CID 114703764
2-[3-(tetrazol-1-yl)phenoxy]ethanamine
CID 45157260
2-[3-(4-tert-butylimidazol-1-yl)phenoxy]ethanamine
CID 96687338

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine?
The IUPAC name of 2-[3-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine (CID 96687259) is 2-[3-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine.
What is the SMILES notation for 2-[3-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine?
The canonical SMILES for 2-[3-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine is CC(C)c1cncn1-c1cccc(OCCN)c1.
What is the InChIKey of 2-[3-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine?
The InChIKey is CPCUHJSQPPIFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)14-9-16-10-17(14)12-4-3-5-13(8-12)18-7-6-15/h3-5,8-11H,6-7,15H2,1-2H3.
What are the key properties of 2-[3-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine?
2-[3-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine is sourced from PubChem (CID 96687259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).