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N-(2-chloroethyl)-N-ethyl-1-(5-methyl-2-propan-2-ylphenoxy)propan-2-,

放大字体  缩小字体 更新日期:2018-02-03  浏览次数:2
摘 要: N-(2-chloroethyl)-N-ethyl-1-(5-methyl-2-propan-2-ylphenoxy)propan-2-,amine,Canonical SMILES: CCN(CCCl)C(C)COC1=C(C=CC(=C1)C)C(C)C,InChI: InChI=1/C17H28ClNO/c1-6-19(10-9-18)15(5)12-20-17-11-14(4)7-8-16(17)13(2),3/h7-8,11,13,15H,6,9-10,12H2,1-5H3,Mole
[Synonyms]

[Structure]
 N-(2-chloroethyl)-N-ethyl-1-(5-methyl-2-propan-2-ylphenoxy)propan-2-,

[ Properties Computed from Structure]
Molecular Weight297.86332 [g/mol]
Molecular FormulaC17H28ClNO
XLogP5.1
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count8
Exact Mass297.185942
MonoIsotopic Mass297.185942
Topological Polar Surface Area12.5
Heavy Atom Count20
Formal Charge0
Complexity259
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: N-(2-chloroethyl)-N-ethyl-1-(5-methyl-2-propan-2-ylphenoxy)propan-2-
amine
Canonical SMILES: CCN(CCCl)C(C)COC1=C(C=CC(=C1)C)C(C)C
InChI: InChI=1/C17H28ClNO/c1-6-19(10-9-18)15(5)12-20-17-11-14(4)7-8-16(17)13(2)
3/h7-8,11,13,15H,6,9-10,12H2,1-5H3

 
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