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

C12H15N3O — CID 68592145

IUPAC[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
SMILESCOc1cc(CN)ccc1-n1cnc(C)c1
InChIInChI=1S/C12H15N3O/c1-9-7-15(8-14-9)11-4-3-10(6-13)5-12(11)16-2/h3-5,7-8H,6,13H2,1-2H3
InChIKeyWJLUXZKJCURCEO-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.65
Rot. Bonds3

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

[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine (PubChem CID 68592145) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
PubChem CID68592145
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
SMILESCOc1cc(CN)ccc1-n1cnc(C)c1
InChIInChI=1S/C12H15N3O/c1-9-7-15(8-14-9)11-4-3-10(6-13)5-12(11)16-2/h3-5,7-8H,6,13H2,1-2H3
InChIKeyWJLUXZKJCURCEO-UHFFFAOYSA-N
XLogP1.65
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-1-methyl-1H-imidazol-2-amine
CID 1132944
1H-Imidazole, 1-(3-methoxy-2-naphthalenyl)-
CID 11413434
(3-Methoxy-benzyl)-(1-methyl-5-phenyl-1H-imidazol-2-yl)-amine
CID 1096451
3-(5-Cyanopyrazin-2-yl)-1-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 23646828
3-(5-Cyanopyrazin-2-yl)-1-[4-({[2-(dimethylamino)ethyl](methyl)amino}methyl)-2-methoxyphenyl]urea
CID 23646829
1-(2,2-Dimethyl-propyl)-3-{2-methyl-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-urea
CID 10002234
1-Butyl-3-{2-methyl-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-urea
CID 10024321
1-((1,2-diphenyl-1H-imidazol-4-yl)methyl)-4-(2-methoxyphenyl)piperazine
CID 10025385
(1H-Imidazol-2-yl)-(4-methoxy-2-methyl-phenyl)-amine
CID 10198135
1-{2-Methyl-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-3-pentyl-urea
CID 10342103
1-(3-Methyl-butyl)-3-{2-methyl-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-urea
CID 10477241
(E)-N-biphenyl-3-ylmethyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acrylamide
CID 11718775

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine?
The IUPAC name of [3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine (CID 68592145) is [3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine?
The canonical SMILES for [3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine is COc1cc(CN)ccc1-n1cnc(C)c1.
What is the InChIKey of [3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine?
The InChIKey is WJLUXZKJCURCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-7-15(8-14-9)11-4-3-10(6-13)5-12(11)16-2/h3-5,7-8H,6,13H2,1-2H3.
What are the key properties of [3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine?
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine has a molecular weight of 217.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 68592145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).