4-(morpholin-4-yl)benzene-1,3-diamine

• ChemBase ID: 121723
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: c1(N2CCOCC2)c(cc(cc1)N)N
• Canonical SMILES: Nc1ccc(c(c1)N)N1CCOCC1
• InChI: InChI=1S/C10H15N3O/c11-8-1-2-10(9(12)7-8)13-3-5-14-6-4-13/h1-2,7H,3-6,11-12H2
• InChIKey: JCYCUIPSHRUWLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholin-4-yl)benzene-1,3-diamine
• IUPAC Traditional name: 4-(morpholin-4-yl)benzene-1,3-diamine
• Synonyms: 4-morpholinobenzene-1,3-diamine

Database IDs

• PubChem SID: 162216076
• PubChem CID: 808760

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.67511714
• LogD (pH = 7.4): 0.16912496
• Log P: 0.20493731
• Molar Refractivity: 58.9619 cm^3
• Polarizability: 21.07747 Å^3
• Polar Surface Area: 64.51 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true