Chemical ID: 4255389

COc1ccc(cc1)OCCNCc2ccccc2
Chemical ID:
4255389
Name [?]:
N-benzyl-2-(4-methoxyphenoxy)-ethanamine
SMILES [?]:
COc1ccc(cc1)OCCNCc2ccccc2
InChi [?]:
InChI=1/C16H19NO2/c1-18-15-7-9-16(10-8-15)19-12-11-17-13-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,15,19,4,8,5,7,11,10,13,14,3,6,12,2,9/E:(3,4)(5,6)(7,8)(9,10)/rA:19nCOCCCCCCOCCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;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:8.12771
Area:481.857
Solvation:-3.91873
Coulombic:-25.239
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

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Descriptor Annotations

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