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Chemical ID: 5529279
Chemical ID:
5529279
Name [?]:
N-[(4-ethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-methanamine
SMILES [?]:
CCN1CCCC1CNCc2ccc(cc2)OCC
InChi [?]:
InChI=1/C16H26N2O/c1-3-18-11-5-6-15(18)13-17-12-14-7-9-16(10-8-14)19-4-2/h7-10,15,17H,3-6,11-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,18,5,6,12,16,13,15,4,10,8,11,7,14,9,3,17/E:(7,8)(9,10)/rA:19cCCNCCCCCNCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H26N2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.48829 |
Area: | 492.257 |
Solvation: | -2.81812 |
Coulombic: | -22.148 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 262.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.69 |
LogP (Chemaxon): | 2.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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