WDC
Summary
| Name: | 2-{[(5-amino-2-chlorophenyl)methyl](methyl)amino}ethan-1-ol |
| Formula: | C10 H15 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 214.692 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-{[(5-amino-2-chlorophenyl)methyl](methyl)amino}ethan-1-ol |
| OpenEye OEToolkits | 2.0.7 | 2-[(5-azanyl-2-chloranyl-phenyl)methyl-methyl-amino]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(N)cc1CN(C)CCO |
| InChI | InChI | 1.06 | InChI=1S/C10H15ClN2O/c1-13(4-5-14)7-8-6-9(12)2-3-10(8)11/h2-3,6,14H,4-5,7,12H2,1H3 |
| InChIKey | InChI | 1.06 | IYAVXYPOCJIRMT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCO)Cc1cc(N)ccc1Cl |
| SMILES | CACTVS | 3.385 | CN(CCO)Cc1cc(N)ccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CCO)Cc1cc(ccc1Cl)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(CCO)Cc1cc(ccc1Cl)N |
