Chemical ID: 7106746

CCOc1ccc(cc1OCC)CNC2CC2
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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Descriptor Annotations

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