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2-ethylamino-1-phenylpentan-1-one,Canonical SMILES: CCCC(C(=O)C1=CC=C

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摘 要: 2-ethylamino-1-phenylpentan-1-one,Canonical SMILES: CCCC(C(=O)C1=CC=CC=C1)NCC,InChI: InChI=1/C13H19NO/c1-3-8-12(14-4-2)13(15)11-9-6-5-7-10-11/h5-7,9-10,12,,14H,3-4,8H2,1-2H3,Molecular Weight205.29606 [g/mol]Molecular FormulaC13H19NOXLogP3H-Bond Dono
[Synonyms]

[Structure]
 2-ethylamino-1-phenylpentan-1-one,Canonical SMILES: CCCC(C(=O)C1=CC=C

[ Properties Computed from Structure]
Molecular Weight205.29606 [g/mol]
Molecular FormulaC13H19NO
XLogP3
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count6
Tautomer Count2
Exact Mass205.146664
MonoIsotopic Mass205.146664
Topological Polar Surface Area29.1
Heavy Atom Count15
Formal Charge0
Complexity185
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-ethylamino-1-phenylpentan-1-one
Canonical SMILES: CCCC(C(=O)C1=CC=CC=C1)NCC
InChI: InChI=1/C13H19NO/c1-3-8-12(14-4-2)13(15)11-9-6-5-7-10-11/h5-7,9-10,12,
14H,3-4,8H2,1-2H3

 
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