1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine

C13H17N3O2 — CID 117193067

IUPAC1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine
SMILESCCn1c(COc2cccc(OC)c2)cnc1N
InChIInChI=1S/C13H17N3O2/c1-3-16-10(8-15-13(16)14)9-18-12-6-4-5-11(7-12)17-2/h4-8H,3,9H2,1-2H3,(H2,14,15)
InChIKeyJZXAPDOSKJQALX-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.07
Rot. Bonds5

About 1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine

1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine (PubChem CID 117193067) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine
PubChem CID117193067
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine
SMILESCCn1c(COc2cccc(OC)c2)cnc1N
InChIInChI=1S/C13H17N3O2/c1-3-16-10(8-15-13(16)14)9-18-12-6-4-5-11(7-12)17-2/h4-8H,3,9H2,1-2H3,(H2,14,15)
InChIKeyJZXAPDOSKJQALX-UHFFFAOYSA-N
XLogP2.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole
CID 117188658
1-ethyl-5-[(3-methoxyphenoxy)methyl]pyrazol-4-amine
CID 117217960
1-ethyl-2-[(3-methoxyphenoxy)methyl]-7-methylindole
CID 117186591
1-ethyl-5-[(3-methylphenoxy)methyl]imidazole-2-carboxylic acid
CID 117193234
5-bromo-1-ethyl-2-(3-methoxyphenoxy)imidazole
CID 117190732
2-[(3-methoxyphenoxy)methyl]-1-methylindol-7-amine
CID 117183684
2-chloro-4-[(3-methoxyphenoxy)methyl]aniline
CID 117220355
3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine
CID 117188645
7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole
CID 117183688
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
2-[(3-methoxyphenoxy)methyl]-1,3-oxazole
CID 117186726
5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole
CID 117188397

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine?
The IUPAC name of 1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine (CID 117193067) is 1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine.
What is the SMILES notation for 1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine?
The canonical SMILES for 1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine is CCn1c(COc2cccc(OC)c2)cnc1N.
What is the InChIKey of 1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine?
The InChIKey is JZXAPDOSKJQALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-16-10(8-15-13(16)14)9-18-12-6-4-5-11(7-12)17-2/h4-8H,3,9H2,1-2H3,(H2,14,15).
What are the key properties of 1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine?
1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine has a molecular weight of 247.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine is sourced from PubChem (CID 117193067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).