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Chemical ID: 4442038

Chemical ID:

4442038

Name [?]:

2,6-dimethyl-4-[3-(5-methyl-2-tert-butyl-phenoxy)propyl]morpholine

SMILES [?]:

Cc1ccc(c(c1)OCCCN2CC(OC(C2)C)C)C(C)(C)C

InChi [?]:

InChI=1/C20H33NO2/c1-15-8-9-18(20(4,5)6)19(12-15)22-11-7-10-21-13-16(2)23-17(3)14-21/h8-9,12,16-17H,7,10-11,13-14H2,1-6H3

InChi Info:

AuxInfo=1/0/N:1,18,19,21,22,23,10,3,4,11,9,7,17,13,2,16,14,5,6,20,12,8,15/E:(2,3)(4,5,6)(13,14)(16,17)/rA:23cCCCCCCCOCCCNCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s16;s14;s5;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₃₃NO₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	2

ZAP Information [?]

Total:	9.90998
Area:	560.827
Solvation:	-4.11068
Coulombic:	-21.1076

Bond Count [?]

All:	24
Single:	21
Double:	3
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	319.482
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.71
LogP (Chemaxon):	4.4

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value