7ZC
1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine
Created: | 2017-02-23 |
Last modified: | 2017-06-28 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 31 |
Chiral Atom Count | 0 |
Bond Count | 32 |
Aromatic Bond Count | 10 |
Chemical Component Summary | |
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Name | 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine |
Systematic Name (OpenEye OEToolkits) | 1-(5-methoxy-1~{H}-indol-3-yl)-~{N},~{N}-dimethyl-methanamine |
Formula | C12 H16 N2 O |
Molecular Weight | 204.268 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | COc1ccc2[nH]cc(CN(C)C)c2c1 |
SMILES | OpenEye OEToolkits | 2.0.6 | CN(C)Cc1c[nH]c2c1cc(cc2)OC |
Canonical SMILES | CACTVS | 3.385 | COc1ccc2[nH]cc(CN(C)C)c2c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | CN(C)Cc1c[nH]c2c1cc(cc2)OC |
InChI | InChI | 1.03 | InChI=1S/C12H16N2O/c1-14(2)8-9-7-13-12-5-4-10(15-3)6-11(9)12/h4-7,13H,8H2,1-3H3 |
InChIKey | InChI | 1.03 | GOERTRUXQHDLHC-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 27965 |
ChEMBL | CHEMBL3769622 |