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JWX

Summary
Name:(1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine
Formula:C22 H22 N2
Formal charge:0
Formula weight:314.423 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine
OpenEye OEToolkits2.0.7(1~{R})-~{N}-(1~{H}-indol-3-ylmethyl)-~{N}-methyl-1-naphthalen-1-yl-ethanamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(c1cccc2ccccc21)N(C)Cc1c[NH]c2ccccc21
InChIInChI1.03InChI=1S/C22H22N2/c1-16(19-12-7-9-17-8-3-4-10-20(17)19)24(2)15-18-14-23-22-13-6-5-11-21(18)22/h3-14,16,23H,15H2,1-2H3/t16-/m1/s1
InChIKeyInChI1.03SKQKRKDBQBKZJK-MRXNPFEDSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](N(C)Cc1c[nH]c2ccccc12)c3cccc4ccccc34
SMILESCACTVS3.385C[CH](N(C)Cc1c[nH]c2ccccc12)c3cccc4ccccc34
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@H](c1cccc2c1cccc2)N(C)Cc3c[nH]c4c3cccc4
SMILESOpenEye OEToolkits2.0.7CC(c1cccc2c1cccc2)N(C)Cc3c[nH]c4c3cccc4

222415

PDB entries from 2024-07-10

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