Chemical ID: 7106782

CCOc1cc(cc(c1OC)Br)CNCCOC
Chemical ID:
7106782
Name [?]:
N-[(3-bromo-5-ethoxy-4-methoxy-phenyl)methyl]-2-methoxy-ethanamine
SMILES [?]:
CCOc1cc(cc(c1OC)Br)CNCCOC
InChi [?]:
InChI=1/C13H20BrNO3/c1-4-18-12-8-10(9-15-5-6-16-2)7-11(14)13(12)17-3/h7-8,15H,4-6,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,11,2,15,16,7,5,13,6,8,4,9,12,14,17,10,3/rA:18nCCOCCCCCCOCBrCNCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s8;s6;s13;s14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20BrNO3
All Atoms:38
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.37863
Area:488.32
Solvation:-5.82936
Coulombic:-30.7866
Bond Count [?]
All:18
Single:15
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:318.207
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.13
LogP (Chemaxon):2.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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