2-[4-(2-methyl-1H-imidazol-5-yl)phenoxy]ethanamine

C12H15N3O — CID 12986051

IUPAC2-[4-(2-methyl-1H-imidazol-5-yl)phenoxy]ethanamine
SMILESCc1ncc(-c2ccc(OCCN)cc2)[nH]1
InChIInChI=1S/C12H15N3O/c1-9-14-8-12(15-9)10-2-4-11(5-3-10)16-7-6-13/h2-5,8H,6-7,13H2,1H3,(H,14,15)
InChIKeyZFALDMQINKUTIL-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.72
Rot. Bonds4

About 2-[4-(2-methyl-1H-imidazol-5-yl)phenoxy]ethanamine

2-[4-(2-methyl-1H-imidazol-5-yl)phenoxy]ethanamine (PubChem CID 12986051) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[4-(2-methyl-1H-imidazol-5-yl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[4-(2-methyl-1H-imidazol-5-yl)phenoxy]ethanamine
PubChem CID12986051
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[4-(2-methyl-1H-imidazol-5-yl)phenoxy]ethanamine
SMILESCc1ncc(-c2ccc(OCCN)cc2)[nH]1
InChIInChI=1S/C12H15N3O/c1-9-14-8-12(15-9)10-2-4-11(5-3-10)16-7-6-13/h2-5,8H,6-7,13H2,1H3,(H,14,15)
InChIKeyZFALDMQINKUTIL-UHFFFAOYSA-N
XLogP1.72
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-ethoxyphenyl)-2-methyl-1H-imidazole
CID 116883826
azane;2-methyl-5-(4-methylphenyl)-1H-imidazole
CID 175302356
2-methyl-5-[4-(4-methylphenyl)phenyl]-1H-imidazole
CID 118357531
N-methyl-1-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine
CID 59598048
5-[4-(2,4-difluorophenoxy)phenyl]-2-methyl-1H-imidazole
CID 12043641
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
5-(4-ethoxyphenyl)-1H-imidazol-2-amine
CID 12733698
2-methyl-5-(2-methyl-1H-imidazol-5-yl)pyridine
CID 90181960
[5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine
CID 95457106
2-(aminomethyl)-4-(2-methyl-1H-imidazol-5-yl)phenol
CID 115023017
2-[4-(1,2-thiazol-5-yl)phenoxy]ethanamine
CID 141050819
2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 71104188

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-1H-imidazol-5-yl)phenoxy]ethanamine?
The IUPAC name of 2-[4-(2-methyl-1H-imidazol-5-yl)phenoxy]ethanamine (CID 12986051) is 2-[4-(2-methyl-1H-imidazol-5-yl)phenoxy]ethanamine.
What is the SMILES notation for 2-[4-(2-methyl-1H-imidazol-5-yl)phenoxy]ethanamine?
The canonical SMILES for 2-[4-(2-methyl-1H-imidazol-5-yl)phenoxy]ethanamine is Cc1ncc(-c2ccc(OCCN)cc2)[nH]1.
What is the InChIKey of 2-[4-(2-methyl-1H-imidazol-5-yl)phenoxy]ethanamine?
The InChIKey is ZFALDMQINKUTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-14-8-12(15-9)10-2-4-11(5-3-10)16-7-6-13/h2-5,8H,6-7,13H2,1H3,(H,14,15).
What are the key properties of 2-[4-(2-methyl-1H-imidazol-5-yl)phenoxy]ethanamine?
2-[4-(2-methyl-1H-imidazol-5-yl)phenoxy]ethanamine has a molecular weight of 217.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-1H-imidazol-5-yl)phenoxy]ethanamine is sourced from PubChem (CID 12986051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).