1-(3,4-dihydroquinazolin-2-yl)propan-1-amine

• ChemBase ID: 278782
• Molecular Formular: C11H15N3
• Molecular Mass: 189.2569
• Monoisotopic Mass: 189.1265975
• SMILES: N1=C(NCc2c1cccc2)C(N)CC
• Canonical SMILES: CCC(C1=Nc2c(CN1)cccc2)N
• InChI: InChI=1S/C11H15N3/c1-2-9(12)11-13-7-8-5-3-4-6-10(8)14-11/h3-6,9H,2,7,12H2,1H3,(H,13,14)
• InChIKey: AARRKIKNIRZAJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,4-dihydroquinazolin-2-yl)propan-1-amine
• IUPAC Traditional name: 1-(3,4-dihydroquinazolin-2-yl)propan-1-amine
• Synonyms: 1-(3,4-dihydroquinazolin-2-yl)propan-1-amine

Database IDs

• MDL Number: MFCD20233509
• PubChem SID: 164334692
• PubChem CID: 54594986

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.180606
• LogD (pH = 7.4): -0.5679818
• Log P: 1.2846304
• Molar Refractivity: 59.0404 cm^3
• Polarizability: 22.182734 Å^3
• Polar Surface Area: 50.41 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.06

Product Information

• Purity: 95%