Chemical ID: 7108135

CCOc1cc(ccc1OC)CNC2CC2
Chemical ID:
7108135
Name [?]:
N-[(3-ethoxy-4-methoxy-phenyl)methyl]cyclopropanamine
SMILES [?]:
CCOc1cc(ccc1OC)CNC2CC2
InChi [?]:
InChI=1/C13H19NO2/c1-3-16-13-8-10(4-7-12(13)15-2)9-14-11-5-6-11/h4,7-8,11,14H,3,5-6,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,7,15,16,8,5,12,6,14,9,4,13,10,3/E:(5,6)/rA:16nCCOCCCCCCOCCNCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;s12;s13;s14;s14s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO2
All Atoms:35
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.46925
Area:433.747
Solvation:-4.37442
Coulombic:-23.3506
Bond Count [?]
All:17
Single:14
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:221.296
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.06
LogP (Chemaxon):1.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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