General Information of the Compound
| Compound ID |
CP0377419
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| Compound Name |
N-methyl-1-[(1R,2S)-1-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-2-yl]methanamine
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| Synonyms |
(1R,2S)-2,3-Dihydro-N-methyl-1-[4-(trifluoromethyl)phenoxy]-1H-indene-2-methanamine
1H-Indene-2-methanamine, 2,3-dihydro-N-methyl-1-(4-(trifluoromethyl)phenoxy)-, (1R-cis)-
9O1J7OU9Q5
BDBM50272710
CHEMBL497666
MDL-28618
MDL-28618A, (+)-
N-methyl((1R,2S)-1-(4-(trifluoromethyl)phenoxy)-2,3-dihydro-1H-inden-2-yl)methanamine
UNII-9O1J7OU9Q5
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| Structure |
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| Formula |
C18H18F3NO
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| Molecular Weight |
321.342
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| Canonical SMILES |
CNC[C@@H]1Cc2ccccc2[C@@H]1Oc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C18H18F3NO/c1-22-11-13-10-12-4-2-3-5-16(12)17(13)23-15-8-6-14(7-9-15)18(19,20)21/h2-9,13,17,22H,10-11H2,1H3/t13-,17+/m0/s1
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| InChIKey |
BDCMARKCSKLIKU-SUMWQHHRSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter
Clinical Information about the Compound