2-Propanol,1-chloro-3-[(phenylmethyl)amino]-
PubChem CID: 15228166
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| Compound Synonyms | 2-Propanol,1-chloro-3-[(phenylmethyl)amino]-, SCHEMBL5170196, 3-amino-1-chloro-4-phenylbutan-2-ol, benzyl-1-amino-3-chloro-2-hydroxypropane, PD040494 |
|---|---|
| Topological Polar Surface Area | 46.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 137.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-amino-1-chloro-4-phenylbutan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C10H14ClNO |
| Prediction Swissadme | 1.0 |
| Inchi Key | YXWOYBQZWSLSMU-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -1.241 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.83 |
| Compound Name | 2-Propanol,1-chloro-3-[(phenylmethyl)amino]- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 199.076 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 199.076 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 199.68 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.961960661538461 |
| Inchi | InChI=1S/C10H14ClNO/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2 |
| Smiles | C1=CC=C(C=C1)CC(C(CCl)O)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bletilla Striata (Plant) Rel Props:Source_db:cmaup_ingredients