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Chemical ID: 7102849
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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Experimental Annotations
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Descriptor Annotations
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