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4-(methylamino)-1-phenylbutan-1-one

4-(methylamino)-1-phenylbutan-1-one

CAS: 89434-18-4

Formula: C11H15NO

SMILES: CNCCCC(=O)C1=CC=CC=C1

IUPAC: 4-(methylamino)-1-phenylbutan-1-one

InChI: InChI=1S/C11H15NO/c1-12-9-5-8-11(13)10-6-3-2-4-7-10/h2-4,6-7,12H,5,8-9H2,1H3

Composition: C (74.54%), H (8.53%), N (7.90%), O (9.03%)

Molar Mass: 177.247

Atom Count: 28

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 177.115364107
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey FATHLVFIKNGZAA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.05
Topological Polar Surface Area 29.1
Polarizability 21.13
Ring Count 1
Rotatable Bond Count 5

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