General Information of the Compound
| Compound ID |
CP0462482
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| Compound Name |
2-[4-[(4-nitrophenyl)methoxy]phenyl]ethanamine
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| Structure |
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| Formula |
C15H16N2O3
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| Molecular Weight |
272.304
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| Canonical SMILES |
NCCc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C15H16N2O3/c16-10-9-12-3-7-15(8-4-12)20-11-13-1-5-14(6-2-13)17(18)19/h1-8H,9-11,16H2
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| InChIKey |
NSJVDMNNZOQWPO-UHFFFAOYSA-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: PT03226, Trace amine-associated receptor 1
Protein ID: PT03501, Trace amine-associated receptor 1