2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine

C13H17N3O — CID 43650904

IUPAC2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine
SMILESCOc1ccc(C)cc1-c1cnc(CCN)[nH]1
InChIInChI=1S/C13H17N3O/c1-9-3-4-12(17-2)10(7-9)11-8-15-13(16-11)5-6-14/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyALSYYMFTLNYHOS-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.89
Rot. Bonds4

About 2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine

2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine (PubChem CID 43650904) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine
PubChem CID43650904
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine
SMILESCOc1ccc(C)cc1-c1cnc(CCN)[nH]1
InChIInChI=1S/C13H17N3O/c1-9-3-4-12(17-2)10(7-9)11-8-15-13(16-11)5-6-14/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyALSYYMFTLNYHOS-UHFFFAOYSA-N
XLogP1.89
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine (CID 43650904) is 2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine is COc1ccc(C)cc1-c1cnc(CCN)[nH]1.
What is the InChIKey of 2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine?
The InChIKey is ALSYYMFTLNYHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-3-4-12(17-2)10(7-9)11-8-15-13(16-11)5-6-14/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine?
2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 43650904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).