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Chemical ID: 7102600
Chemical ID:
7102600
Name [?]:
N-[(3-ethoxyphenyl)methyl]cyclopentanamine
SMILES [?]:
CCOc1cccc(c1)CNC2CCCC2
InChi [?]:
InChI=1/C14H21NO/c1-2-16-14-9-5-6-12(10-14)11-15-13-7-3-4-8-13/h5-6,9-10,13,15H,2-4,7-8,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,15,6,7,13,16,5,9,10,8,12,4,11,3/E:(3,4)(7,8)/rA:16nCCOCCCCCCCNCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;s12;s13;s14;s12s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO |
All Atoms: | 37 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.50182 |
Area: | 430.971 |
Solvation: | -2.27245 |
Coulombic: | -17.7477 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 219.323 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.13 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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