Compound Summary
Compound Information
(+/-)-PPHT hydrochloride
Compound Name: | (+/-)-PPHT hydrochloride |
Compound CID: | 11957671 |
Synonyms: | (+/-)-PPHT hydrochloride |
Iupac Name: | 6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride |
InChI: | InChI=1S/C21H27NO.ClH/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23;/h3-10,19,23H,2,11-16H2,1H3;1H |
InChIKey: | XWLCIDLCEZAOEY-UHFFFAOYSA-N |
Canonical Smiles: | CCCN(CCC1=CC=CC=C1)C2CCC3=C(C2)C=CC=C3O.Cl |
Isomeric Smiles: | CCCN(CCC1=CC=CC=C1)C2CCC3=C(C2)C=CC=C3O.Cl |
Molecular Weight: | 345.9 |
Molecular Formula: | C21H28ClNO |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
(+/-)-PPHT hydrochloride
Molecular Weight: | 345.9 |
Molecular Formula: | C21H28ClNO |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 2 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 24 |
Complexity: | 339 |
Synonyms
(+/-)-PPHT hydrochloride
Experimental Data
(+/-)-PPHT hydrochloride
Experimental Data Visualization
(+/-)-PPHT hydrochloride
Statistics Data
(+/-)-PPHT hydrochloride
Statistics Data Visualization
(+/-)-PPHT hydrochloride
