[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine

C13H17N3O2 — CID 60878682

IUPAC[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
SMILESCOc1cc(CN)ccc1OCc1nccn1C
InChIInChI=1S/C13H17N3O2/c1-16-6-5-15-13(16)9-18-11-4-3-10(8-14)7-12(11)17-2/h3-7H,8-9,14H2,1-2H3
InChIKeyMVEBVDSNSWALJG-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.47
Rot. Bonds5

About [3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine

[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine (PubChem CID 60878682) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
PubChem CID60878682
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
SMILESCOc1cc(CN)ccc1OCc1nccn1C
InChIInChI=1S/C13H17N3O2/c1-16-6-5-15-13(16)9-18-11-4-3-10(8-14)7-12(11)17-2/h3-7H,8-9,14H2,1-2H3
InChIKeyMVEBVDSNSWALJG-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanamine
CID 60878684
[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880022
[3,5-dimethoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
CID 114527174
N-ethyl-1-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60882672
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride
CID 42892412
ethanol;1-methyl-2-[[6,13,20-trimethoxy-12,19-bis[(1-methylimidazol-2-yl)methoxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]imidazole
CID 139144903
[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanamine
CID 64801160
N-[[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 114527142
3-chloro-4-[(1-methylimidazol-2-yl)methoxy]aniline
CID 11459043
[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxyphenyl]methanol
CID 107742818
[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine (CID 60878682) is [3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine is COc1cc(CN)ccc1OCc1nccn1C.
What is the InChIKey of [3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine?
The InChIKey is MVEBVDSNSWALJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16-6-5-15-13(16)9-18-11-4-3-10(8-14)7-12(11)17-2/h3-7H,8-9,14H2,1-2H3.
What are the key properties of [3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine?
[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine has a molecular weight of 247.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 60878682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).