Chemical ID: 7102593

CCCCNCc1cc(c(c(c1)Br)OC)OC
Chemical ID:
7102593
Name [?]:
N-[(3-bromo-4,5-dimethoxy-phenyl)methyl]butan-1-amine
SMILES [?]:
CCCCNCc1cc(c(c(c1)Br)OC)OC
InChi [?]:
InChI=1/C13H20BrNO2/c1-4-5-6-15-9-10-7-11(14)13(17-3)12(8-10)16-2/h7-8,15H,4-6,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,15,2,3,4,12,8,6,7,11,9,10,13,5,16,14/rA:17nCCCCNCCCCCCCBrOCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s10;s14;s9;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20BrNO2
All Atoms:37
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.93337
Area:467.923
Solvation:-3.76471
Coulombic:-24.6331
Bond Count [?]
All:17
Single:14
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:302.207
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.24
LogP (Chemaxon):3.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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