Mol Weight - 255.36
Smiles - CC(Cc(cc1)ccc1OC)NCc1ccccc1
| Property Name | Property Value |
| Mol Name | 1-(4-Methoxyphenyl)-2-benzylaminopropane |
| Molweight | 255.36 |
| Monoisotopic Mass | 255.162314 |
| Clogp | 3.1535 |
| Clogs | -3.323 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 219.02 |
| Relative Psa | 0.097982 |
| Polar Surface Area | 21.26 |
| Druglikeness | 4.5476 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.73684 |
| Molecular Flexibility | 0.56876 |
| Molecular Complexity | 0.58727 |
| Fragments | 1 |
| Non H Atoms | 19 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Stereo Centers | 1 |
| Rotatable Bonds | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3 Atoms | 7 |
| Symmetric Atoms | 4 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | CC(Cc(cc1)ccc1OC)NCc1ccccc1 |
| InChIKey | InChI=1S/C17H21NO/c1-14(18-13-16-6-4-3-5-7-16)12-15-8-10-17(19-2)11-9-15/h3-11,14,18H,12-13H2,1-2H3 |
| InChI | CVGPWMGXKOKNFD-UHFFFAOYSA-N |
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1 — 1-(4-Methoxyphenyl)-2-benzylaminopropane | 2 — 1-(4-Methoxyphenyl)-2-benzylaminopropane