N-ethyl-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 246519
• Molecular Formular: C12H16FN
• Molecular Mass: 193.2605432
• Monoisotopic Mass: 193.12667774
• SMILES: c12c(cc(cc1)F)CCCC2NCC
• Canonical SMILES: CCNC1CCCc2c1ccc(c2)F
• InChI: InChI=1S/C12H16FN/c1-2-14-12-5-3-4-9-8-10(13)6-7-11(9)12/h6-8,12,14H,2-5H2,1H3
• InChIKey: GPRQPHLZBVMCCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: N-ethyl-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: N-ethyl-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine

Database IDs

• MDL Number: MFCD23144313
• PubChem SID: 164302429
• PubChem CID: 71758015

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.18415862
• LogD (pH = 7.4): 0.6931063
• Log P: 3.0198975
• Molar Refractivity: 56.4528 cm^3
• Polarizability: 21.741161 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.155

Product Information

• Purity: 95%