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Chemical ID: 7107979
Chemical ID:
7107979
Name [?]:
N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine
SMILES [?]:
CCCCCCNCc1ccc(cc1OC)OC
InChi [?]:
InChI=1/C15H25NO2/c1-4-5-6-7-10-16-12-13-8-9-14(17-2)11-15(13)18-3/h8-9,11,16H,4-7,10,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,16,2,3,4,5,10,11,6,13,8,9,12,14,7,17,15/rA:18nCCCCCCNCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;s12;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25NO2 |
All Atoms: | 43 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.60737 |
Area: | 492.83 |
Solvation: | -3.71339 |
Coulombic: | -24.4399 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 251.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.85 |
LogP (Chemaxon): | 3.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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