1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine

• ChemBase ID: 125512
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: CC(Cc1cc2c(CCCC2)cc1)N
• Canonical SMILES: CC(Cc1ccc2c(c1)CCCC2)N
• InChI: InChI=1S/C13H19N/c1-10(14)8-11-6-7-12-4-2-3-5-13(12)9-11/h6-7,9-10H,2-5,8,14H2,1H3
• InChIKey: UTVKUFYOPJCDPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
• IUPAC Traditional name: tetralinylaminopropane
• Synonyms: 6-APT

Database IDs

• CAS Number: ?
• PubChem SID: 162219862
• PubChem CID: 14964398
• CHEMBL: 331488
• Chemspider ID: 23204045
• Wikipedia Title: 6-APT

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.23681945
• LogD (pH = 7.4): 0.7661395
• Log P: 3.2565048
• Molar Refractivity: 61.1874 cm^3
• Polarizability: 23.840557 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Uncontrolled (but may be covered under the Federal Analogue Act in the United States and under similar bills in other countries)