Chemical ID: 7106713

CCOc1c(cc(cc1Br)CNCCOC)OC
Chemical ID:
7106713
Name [?]:
N-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methyl]-2-methoxy-ethanamine
SMILES [?]:
CCOc1c(cc(cc1Br)CNCCOC)OC
InChi [?]:
InChI=1/C13H20BrNO3/c1-4-18-13-11(14)7-10(8-12(13)17-3)9-15-5-6-16-2/h7-8,15H,4-6,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,18,2,13,14,8,6,11,7,9,5,4,10,12,15,17,3/rA:18nCCOCCCCCCBrCNCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;s11;s12;s13;s14;s15;s5;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20BrNO3
All Atoms:38
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.26968
Area:485.451
Solvation:-5.8666
Coulombic:-30.7734
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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Descriptor Annotations

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