IUPAC name
(2R,6S)-rel-4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine
SMILES
CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@H](C)C1
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
fenpropimorph
IUPAC name
(2R,6S)-rel-4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine
SMILES
CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@H](C)C1
INCHI
InChI=1S/2C20H33NO/c2*1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h2*7-10,15-17H,11-14H2,1-6H3/t2*15?,16-,17+
FORMULA
C20H33NO
Common name
fenpropimorph
IUPAC name
(2R,6S)-rel-4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine
Molecular weight
303.482
clogP
4.682
clogS
-4.734
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
12.47
Number of Rings
2
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00193 | propylbenzene |
|
C(c1ccccc1)CC | 0.0186 |
| FDBF04215 | (2R,6S)-2,6-dimethylmorpholine |
|
CC1CNCC(O1)C | 0.0017 |
| FDBF06680 | (2S,6R)-2,4,6-trimethylmorpholine |
|
CN1C[C@H](C)O[C@H](C)C1 | 0.0010 |
| FDBF06682 | (2S,6R)-2,6-dimethyl-4-propylmorpholine |
|
C[C@H](C1)O[C@@H](C)CN1CCC | 0.0010 |
| FDBF07108 | (2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine |
|
CC(C)CN1C[C@H](O[C@H](C1)C)C | 0.0003 |
9 ,
1
