2-(2-methylphenoxy)-1-propan-2-ylimidazol-4-amine

C13H17N3O — CID 117189748

IUPAC2-(2-methylphenoxy)-1-propan-2-ylimidazol-4-amine
SMILESCc1ccccc1Oc1nc(N)cn1C(C)C
InChIInChI=1S/C13H17N3O/c1-9(2)16-8-12(14)15-13(16)17-11-7-5-4-6-10(11)3/h4-9H,14H2,1-3H3
InChIKeyKVXOKJQFXSEJAH-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.15
Rot. Bonds3

About 2-(2-methylphenoxy)-1-propan-2-ylimidazol-4-amine

2-(2-methylphenoxy)-1-propan-2-ylimidazol-4-amine (PubChem CID 117189748) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-1-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name2-(2-methylphenoxy)-1-propan-2-ylimidazol-4-amine
PubChem CID117189748
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(2-methylphenoxy)-1-propan-2-ylimidazol-4-amine
SMILESCc1ccccc1Oc1nc(N)cn1C(C)C
InChIInChI=1S/C13H17N3O/c1-9(2)16-8-12(14)15-13(16)17-11-7-5-4-6-10(11)3/h4-9H,14H2,1-3H3
InChIKeyKVXOKJQFXSEJAH-UHFFFAOYSA-N
XLogP3.15
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-1-propan-2-ylimidazol-4-amine?
The IUPAC name of 2-(2-methylphenoxy)-1-propan-2-ylimidazol-4-amine (CID 117189748) is 2-(2-methylphenoxy)-1-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 2-(2-methylphenoxy)-1-propan-2-ylimidazol-4-amine?
The canonical SMILES for 2-(2-methylphenoxy)-1-propan-2-ylimidazol-4-amine is Cc1ccccc1Oc1nc(N)cn1C(C)C.
What is the InChIKey of 2-(2-methylphenoxy)-1-propan-2-ylimidazol-4-amine?
The InChIKey is KVXOKJQFXSEJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(2)16-8-12(14)15-13(16)17-11-7-5-4-6-10(11)3/h4-9H,14H2,1-3H3.
What are the key properties of 2-(2-methylphenoxy)-1-propan-2-ylimidazol-4-amine?
2-(2-methylphenoxy)-1-propan-2-ylimidazol-4-amine has a molecular weight of 231.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-1-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 117189748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).