91480-88-5
1-[4-AMINO-5-(4-METHOXY-3-METHYL-PHENYL)-2-METHYL-1H-PYRROL-3-YL]ETHAN ONE
Name1-[4-AMINO-5-(4-METHOXY-3-METHYL-PHENYL)-2-METHYL-1H-PYRROL-3-YL]ETHAN ONE
1Identification
【Name】
1-[4-AMINO-5-(4-METHOXY-3-METHYL-PHENYL)-2-METHYL-1H-PYRROL-3-YL]ETHAN ONE
【CAS】
【MDL】
MFCD01727652
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C15 H18 N2 O2
【pro_molWeight】
258.319
【Inchi】
InChI=1S/C15H18N2O2/c1-8-7-11(5-6-12(8)19-4)15-14(16)13(10(3)18)9(2)17-15/h5-7,17H,16H2,1-4H3
【InChIKey】
InChIKey=FGELHULSWNUGDB-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1OC)c2c(c(c([nH]2)C)C(=O)C)N
【MOL File】
1-[4-AMINO-5-(4-METH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-[4-AMINO-5-(4-METHOXY-3-METHYL-PHENYL)-2-METHYL-1H-PYRROL-3-YL]ETHAN ONE.cml