4-[2-amino-1-(morpholin-4-yl)ethyl]-N,N-dimethylaniline

• ChemBase ID: 19367
• Molecular Formular: C14H23N3O
• Molecular Mass: 249.35192
• Monoisotopic Mass: 249.18411237
• SMILES: N1(C(c2ccc(N(C)C)cc2)CN)CCOCC1
• Canonical SMILES: NCC(c1ccc(cc1)N(C)C)N1CCOCC1
• InChI: InChI=1S/C14H23N3O/c1-16(2)13-5-3-12(4-6-13)14(11-15)17-7-9-18-10-8-17/h3-6,14H,7-11,15H2,1-2H3
• InChIKey: SBMPCTJRUNJPHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-amino-1-(morpholin-4-yl)ethyl]-N,N-dimethylaniline
• IUPAC Traditional name: 4-[2-amino-1-(morpholin-4-yl)ethyl]-N,N-dimethylaniline
• Synonyms: [4-(2-Amino-1-morpholin-4-yl-ethyl)-phenyl]-dimethyl-amine

Database IDs

• MDL Number: MFCD08686832
• PubChem SID: 160982674
• PubChem CID: 16642844

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.0204823
• LogD (pH = 7.4): -0.5520961
• Log P: 1.0669693
• Molar Refractivity: 75.7238 cm^3
• Polarizability: 29.221886 Å^3
• Polar Surface Area: 41.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false