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Chemical ID: 7106746
Chemical ID:
7106746
Name [?]:
N-[(3,4-diethoxyphenyl)methyl]cyclopropanamine
SMILES [?]:
CCOc1ccc(cc1OCC)CNC2CC2
InChi [?]:
InChI=1/C14H21NO2/c1-3-16-13-8-5-11(9-14(13)17-4-2)10-15-12-6-7-12/h5,8-9,12,15H,3-4,6-7,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,11,6,16,17,5,8,13,7,15,4,9,14,3,10/E:(6,7)/rA:17nCCOCCCCCCOCCCNCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;s14;s15;s15s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO2 |
All Atoms: | 38 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.28266 |
Area: | 461.55 |
Solvation: | -4.25609 |
Coulombic: | -23.641 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 235.322 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.49 |
LogP (Chemaxon): | 2.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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