9,10-dihydroanthracen-9-ylmethanamine

• ChemBase ID: 125552
• Molecular Formular: C15H15N
• Molecular Mass: 209.2863
• Monoisotopic Mass: 209.12044949
• SMILES: c1cccc2c1Cc1ccccc1C2CN
• Canonical SMILES: NCC1c2ccccc2Cc2c1cccc2
• InChI: InChI=1S/C15H15N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-8,15H,9-10,16H2
• InChIKey: GEICAQNIOJFRQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,10-dihydroanthracen-9-ylmethanamine
• IUPAC Traditional name: 9,10-dihydroanthracen-9-ylmethanamine
• Synonyms: 9-Aminomethyl-9,10-dihydroanthracene

Database IDs

• CAS Number: 22136-76-1
• PubChem SID: 162219902
• PubChem CID: 10398175
• CHEMBL: 47482
• Chemspider ID: 8573613
• Wikipedia Title: 9-Aminomethyl-9,10-dihydroanthracene

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7095378E-4
• LogD (pH = 7.4): 0.7739275
• Log P: 3.0050004
• Molar Refractivity: 67.5322 cm^3
• Polarizability: 26.173681 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true