Chemical ID: 7439568

Cc1cc(c(c(c1)C)OCCN)C
Chemical ID:
7439568
Name [?]:
2-(2,4,6-trimethylphenoxy)ethanamine
SMILES [?]:
Cc1cc(c(c(c1)C)OCCN)C
InChi [?]:
InChI=1/C11H17NO/c1-8-6-9(2)11(10(3)7-8)13-5-4-12/h6-7H,4-5,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,13,11,10,7,3,2,6,4,5,12,9/E:(2,3)(6,7)(9,10)/rA:13nCCCCCCCCOCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s4;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H17NO
All Atoms:30
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.74152
Area:360.172
Solvation:-2.26277
Coulombic:-20.1424
Bond Count [?]
All:13
Single:10
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:179.259
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.05
LogP (Chemaxon):2.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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