2-[(3-methoxyphenoxy)methyl]-1-propan-2-ylimidazol-4-amine

C14H19N3O2 — CID 117187706

IUPAC2-[(3-methoxyphenoxy)methyl]-1-propan-2-ylimidazol-4-amine
SMILESCOc1cccc(OCc2nc(N)cn2C(C)C)c1
InChIInChI=1S/C14H19N3O2/c1-10(2)17-8-13(15)16-14(17)9-19-12-6-4-5-11(7-12)18-3/h4-8,10H,9,15H2,1-3H3
InChIKeyJVDXQZRYORPUJJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.63
Rot. Bonds5

About 2-[(3-methoxyphenoxy)methyl]-1-propan-2-ylimidazol-4-amine

2-[(3-methoxyphenoxy)methyl]-1-propan-2-ylimidazol-4-amine (PubChem CID 117187706) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(3-methoxyphenoxy)methyl]-1-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenoxy)methyl]-1-propan-2-ylimidazol-4-amine
PubChem CID117187706
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[(3-methoxyphenoxy)methyl]-1-propan-2-ylimidazol-4-amine
SMILESCOc1cccc(OCc2nc(N)cn2C(C)C)c1
InChIInChI=1S/C14H19N3O2/c1-10(2)17-8-13(15)16-14(17)9-19-12-6-4-5-11(7-12)18-3/h4-8,10H,9,15H2,1-3H3
InChIKeyJVDXQZRYORPUJJ-UHFFFAOYSA-N
XLogP2.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole
CID 117187667
6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117179005
5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole
CID 117188397
5-[3-[(4-methoxyphenyl)methoxy]phenyl]-1-propan-2-ylimidazole
CID 15749941
5-chloro-2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine
CID 117255753
1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole
CID 117188658
(3-methoxyphenoxy)methanol
CID 10442564
3-[(3-methoxyphenyl)methoxy]-5-propan-2-yloxyaniline
CID 80752679
3-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117257007
4-[(3-methoxyphenoxy)methyl]-1,1-dioxo-1,3-thiazol-2-amine
CID 117191181
1-ethyl-5-[(3-methoxyphenoxy)methyl]pyrazol-4-amine
CID 117217960
1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine
CID 117193067

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenoxy)methyl]-1-propan-2-ylimidazol-4-amine?
The IUPAC name of 2-[(3-methoxyphenoxy)methyl]-1-propan-2-ylimidazol-4-amine (CID 117187706) is 2-[(3-methoxyphenoxy)methyl]-1-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 2-[(3-methoxyphenoxy)methyl]-1-propan-2-ylimidazol-4-amine?
The canonical SMILES for 2-[(3-methoxyphenoxy)methyl]-1-propan-2-ylimidazol-4-amine is COc1cccc(OCc2nc(N)cn2C(C)C)c1.
What is the InChIKey of 2-[(3-methoxyphenoxy)methyl]-1-propan-2-ylimidazol-4-amine?
The InChIKey is JVDXQZRYORPUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(2)17-8-13(15)16-14(17)9-19-12-6-4-5-11(7-12)18-3/h4-8,10H,9,15H2,1-3H3.
What are the key properties of 2-[(3-methoxyphenoxy)methyl]-1-propan-2-ylimidazol-4-amine?
2-[(3-methoxyphenoxy)methyl]-1-propan-2-ylimidazol-4-amine has a molecular weight of 261.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenoxy)methyl]-1-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 117187706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).