PVF
Summary
| Name: | 1-{3-[(4-chlorophenyl)methoxy]phenyl}methanamine |
| Formula: | C14 H14 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 247.72 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-{3-[(4-chlorophenyl)methoxy]phenyl}methanamine |
| OpenEye OEToolkits | 2.0.7 | [3-[(4-chlorophenyl)methoxy]phenyl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(COc2cc(CN)ccc2)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C14H14ClNO/c15-13-6-4-11(5-7-13)10-17-14-3-1-2-12(8-14)9-16/h1-8H,9-10,16H2 |
| InChIKey | InChI | 1.03 | CHSPACIWWGSTQT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1cccc(OCc2ccc(Cl)cc2)c1 |
| SMILES | CACTVS | 3.385 | NCc1cccc(OCc2ccc(Cl)cc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OCc2ccc(cc2)Cl)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OCc2ccc(cc2)Cl)CN |
