2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]ethanamine

C15H21N3O — CID 114719746

IUPAC2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]ethanamine
SMILESCCC(C)Oc1cccc(-n2cncc2CCN)c1
InChIInChI=1S/C15H21N3O/c1-3-12(2)19-15-6-4-5-13(9-15)18-11-17-10-14(18)7-8-16/h4-6,9-12H,3,7-8,16H2,1-2H3
InChIKeyZPLZZZDSBZZFKW-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.55
Rot. Bonds6

About 2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]ethanamine

2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]ethanamine (PubChem CID 114719746) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]ethanamine
PubChem CID114719746
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]ethanamine
SMILESCCC(C)Oc1cccc(-n2cncc2CCN)c1
InChIInChI=1S/C15H21N3O/c1-3-12(2)19-15-6-4-5-13(9-15)18-11-17-10-14(18)7-8-16/h4-6,9-12H,3,7-8,16H2,1-2H3
InChIKeyZPLZZZDSBZZFKW-UHFFFAOYSA-N
XLogP2.55
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114708232
[3-(3-methoxyphenyl)imidazol-4-yl]methanamine
CID 114703764
1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole
CID 114705473
1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-3-ylimidazole
CID 114719747
2-[3-(3,4-dichlorophenyl)imidazol-4-yl]ethanamine
CID 114716286
2-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]ethanamine
CID 114721649
3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine
CID 141378858
2-[3-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine
CID 96687259
3-(3-butan-2-yloxyphenyl)prop-2-yn-1-amine
CID 60801175
2-[3-(5-methyl-3-pyridinyl)imidazol-4-yl]ethanamine
CID 107587222
2-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]ethanamine
CID 114720765
4-[5-(2-aminoethyl)imidazol-1-yl]phenol
CID 84671540

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]ethanamine (CID 114719746) is 2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]ethanamine is CCC(C)Oc1cccc(-n2cncc2CCN)c1.
What is the InChIKey of 2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]ethanamine?
The InChIKey is ZPLZZZDSBZZFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-12(2)19-15-6-4-5-13(9-15)18-11-17-10-14(18)7-8-16/h4-6,9-12H,3,7-8,16H2,1-2H3.
What are the key properties of 2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]ethanamine?
2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114719746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).