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N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]-N-propan-2-ylprop

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摘 要: N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]-N-propan-2-ylpropan-,2-amine,Canonical SMILES: CC1=CC(=C(C=C1Cl)C(C)C)OCCN(C(C)C)C(C)C,InChI: InChI=1/C18H30ClNO/c1-12(2)16-11-17(19)15(7)10-18(16)21-9-8-20(13(3)4)14,(5)6/h10-14H,8-9H2,1-7H3,Molec
[Synonyms]

[Structure]
 N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]-N-propan-2-ylprop

[ Properties Computed from Structure]
Molecular Weight311.8899 [g/mol]
Molecular FormulaC18H30ClNO
XLogP5.6
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count7
Exact Mass311.201592
MonoIsotopic Mass311.201592
Topological Polar Surface Area12.5
Heavy Atom Count21
Formal Charge0
Complexity285
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]-N-propan-2-ylpropan-
2-amine
Canonical SMILES: CC1=CC(=C(C=C1Cl)C(C)C)OCCN(C(C)C)C(C)C
InChI: InChI=1/C18H30ClNO/c1-12(2)16-11-17(19)15(7)10-18(16)21-9-8-20(13(3)4)14
(5)6/h10-14H,8-9H2,1-7H3

 
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