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Chemical ID: 7104332
Chemical ID:
7104332
Name [?]:
N'-[(3-chloro-4,5-dimethoxy-phenyl)methyl]-N,N-dimethyl-propane-1,3-diamine
SMILES [?]:
CN(C)CCCNCc1cc(c(c(c1)Cl)OC)OC
InChi [?]:
InChI=1/C14H23ClN2O2/c1-17(2)7-5-6-16-10-11-8-12(15)14(19-4)13(9-11)18-3/h8-9,16H,5-7,10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,19,17,5,6,4,14,10,8,9,13,11,12,15,7,2,18,16/E:(1,2)/rA:19nCNCCCCNCCCCCCCClOCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s13;s12;s16;s11;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H23ClN2O2 |
All Atoms: | 42 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.37244 |
Area: | 513.482 |
Solvation: | -4.4646 |
Coulombic: | -28.9463 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 286.797 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.93 |
LogP (Chemaxon): | 1.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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