Chemical ID: 4247261

COc1cccc(c1OCCCNC2CCCC2)OC
Chemical ID:
4247261
Name [?]:
N-[3-(2,6-dimethoxyphenoxy)propyl]cyclopentanamine
SMILES [?]:
COc1cccc(c1OCCCNC2CCCC2)OC
InChi [?]:
InChI=1/C16H25NO3/c1-18-14-9-5-10-15(19-2)16(14)20-12-6-11-17-13-7-3-4-8-13/h5,9-10,13,17H,3-4,6-8,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,16,17,5,11,15,18,4,6,12,10,14,3,7,8,13,2,19,9/E:(1,2)(3,4)(7,8)(9,10)(14,15)(18,19)/rA:20nCOCCCCCCOCCCNCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s14s17;s7;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.17993
Area:507.853
Solvation:-5.51639
Coulombic:-31.6192
Bond Count [?]
All:21
Single:18
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:279.375
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.6
LogP (Chemaxon):2.15

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Descriptor Annotations

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