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Chemical ID: 4412184

Chemical ID:

4412184

Name [?]:

4-[2-(2,4-dimethylphenoxy)ethyl]-2,6-dimethyl-morpholine

SMILES [?]:

Cc1ccc(c(c1)C)OCCN2CC(OC(C2)C)C

InChi [?]:

InChI=1/C16H25NO2/c1-12-5-6-16(13(2)9-12)18-8-7-17-10-14(3)19-15(4)11-17/h5-6,9,14-15H,7-8,10-11H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,8,18,19,3,4,11,10,7,17,13,2,6,16,14,5,12,9,15/E:(3,4)(10,11)(14,15)/rA:19cCCCCCCCCOCCNCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;s13;s14;s15;s12s16;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₅NO₂
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	2

ZAP Information [?]

Total:	7.60597
Area:	459.511
Solvation:	-3.8818
Coulombic:	-20.4467

Bond Count [?]

All:	20
Single:	17
Double:	3
Rotors:	4
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	263.375
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	2.97
LogP (Chemaxon):	3.19

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value