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Chemical ID: 4247261
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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