XVZ
6-{2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl}-4-methylpyridin-2-amine
Created: | 2022-12-13 |
Last modified: | 2023-10-11 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 40 |
Chiral Atom Count | 0 |
Bond Count | 41 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 6-{2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl}-4-methylpyridin-2-amine |
Systematic Name (OpenEye OEToolkits) | 6-[2-[5-(2-azanylethyl)-2,3-bis(fluoranyl)phenyl]ethyl]-4-methyl-pyridin-2-amine |
Formula | C16 H19 F2 N3 |
Molecular Weight | 291.339 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1cc(CCc2cc(CCN)cc(F)c2F)nc(N)c1 |
SMILES | CACTVS | 3.385 | Cc1cc(N)nc(CCc2cc(CCN)cc(F)c2F)c1 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCN |
Canonical SMILES | CACTVS | 3.385 | Cc1cc(N)nc(CCc2cc(CCN)cc(F)c2F)c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCN |
InChI | InChI | 1.06 | InChI=1S/C16H19F2N3/c1-10-6-13(21-15(20)7-10)3-2-12-8-11(4-5-19)9-14(17)16(12)18/h6-9H,2-5,19H2,1H3,(H2,20,21) |
InChIKey | InChI | 1.06 | OQUWRANPJSGUGT-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 168654809 |