Chemical ID: 7102849

CCCCCCNCc1cc(c(c(c1)Br)OC)OC
Chemical ID:
7102849
Name [?]:
N-[(3-bromo-4,5-dimethoxy-phenyl)methyl]hexan-1-amine
SMILES [?]:
CCCCCCNCc1cc(c(c(c1)Br)OC)OC
InChi [?]:
InChI=1/C15H24BrNO2/c1-4-5-6-7-8-17-11-12-9-13(16)15(19-3)14(10-12)18-2/h9-10,17H,4-8,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,17,2,3,4,5,6,14,10,8,9,13,11,12,15,7,18,16/rA:19nCCCCCCNCCCCCCCBrOCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s13;s12;s16;s11;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24BrNO2
All Atoms:43
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.25661
Area:522.168
Solvation:-3.79758
Coulombic:-25.2406
Bond Count [?]
All:19
Single:16
Double:3
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:330.261
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.38
LogP (Chemaxon):3.86

Name Annotations

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Descriptor Annotations

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