Chemical ID: 4470589

CNCCOc1ccc(cc1)OCc2ccccc2
Chemical ID:
4470589
Name [?]:
2-(4-benzyloxyphenoxy)-N-methyl-ethanamine
SMILES [?]:
CNCCOc1ccc(cc1)OCc2ccccc2
InChi [?]:
InChI=1/C16H19NO2/c1-17-11-12-18-15-7-9-16(10-8-15)19-13-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,15,19,7,11,8,10,3,4,13,14,6,9,2,5,12/E:(3,4)(5,6)(7,8)(9,10)/rA:19nCNCCOCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.78292
Area:481.959
Solvation:-4.26606
Coulombic:-25.0061
Bond Count [?]
All:20
Single:14
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:257.328
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.18
LogP (Chemaxon):2.94

Name Annotations

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Descriptor Annotations

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