2-[4-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine

C14H19N3O — CID 96687258

IUPAC2-[4-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine
SMILESCC(C)c1cncn1-c1ccc(OCCN)cc1
InChIInChI=1S/C14H19N3O/c1-11(2)14-9-16-10-17(14)12-3-5-13(6-4-12)18-8-7-15/h3-6,9-11H,7-8,15H2,1-2H3
InChIKeyRFTDQHATEHRWBZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.33
Rot. Bonds5

About 2-[4-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine

2-[4-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine (PubChem CID 96687258) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[4-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[4-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine
PubChem CID96687258
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[4-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine
SMILESCC(C)c1cncn1-c1ccc(OCCN)cc1
InChIInChI=1S/C14H19N3O/c1-11(2)14-9-16-10-17(14)12-3-5-13(6-4-12)18-8-7-15/h3-6,9-11H,7-8,15H2,1-2H3
InChIKeyRFTDQHATEHRWBZ-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-[3-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine
CID 96687259
1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine
CID 114702632
3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine
CID 114704021
2-[4-(3-propan-2-ylazetidin-1-yl)phenoxy]ethanamine
CID 79686885
[3-(4-ethoxyphenyl)imidazol-4-yl]methanamine
CID 114702711
2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]propan-1-amine
CID 102969409
2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine
CID 114705530
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine
CID 114703750
2-[4-(2-methylpropyl)phenoxy]ethanamine
CID 96670599
2-[4-[5-[(1R)-1-aminoethyl]imidazol-1-yl]phenyl]ethanol
CID 104942381
(1S)-1-[3-(4-methylsulfanylphenyl)imidazol-4-yl]ethanamine
CID 104941738

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine?
The IUPAC name of 2-[4-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine (CID 96687258) is 2-[4-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine.
What is the SMILES notation for 2-[4-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine?
The canonical SMILES for 2-[4-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine is CC(C)c1cncn1-c1ccc(OCCN)cc1.
What is the InChIKey of 2-[4-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine?
The InChIKey is RFTDQHATEHRWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)14-9-16-10-17(14)12-3-5-13(6-4-12)18-8-7-15/h3-6,9-11H,7-8,15H2,1-2H3.
What are the key properties of 2-[4-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine?
2-[4-(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-[4-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine is sourced from PubChem (CID 96687258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).