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Chemical ID: 4241973
Chemical ID:
4241973
Name [?]:
N-[2-(4-methoxyphenoxy)ethyl]cyclopentanamine
SMILES [?]:
COc1ccc(cc1)OCCNC2CCCC2
InChi [?]:
InChI=1/C14H21NO2/c1-16-13-6-8-14(9-7-13)17-11-10-15-12-4-2-3-5-12/h6-9,12,15H,2-5,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,14,17,4,8,5,7,11,10,13,3,6,12,2,9/E:(2,3)(4,5)(6,7)(8,9)/rA:17nCOCCCCCCOCCNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;s15;s13s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.70608 |
Area: | 445.656 |
Solvation: | -3.43533 |
Coulombic: | -24.2011 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 235.322 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.73 |
LogP (Chemaxon): | 2.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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