ChemDB: Chemical Search
Download
Chemical ID: 7102889
Chemical ID:
7102889
Name [?]:
N-[(3-chloro-4,5-dimethoxy-phenyl)methyl]-2-methyl-propan-1-amine
SMILES [?]:
CC(C)CNCc1cc(c(c(c1)Cl)OC)OC
InChi [?]:
InChI=1/C13H20ClNO2/c1-9(2)7-15-8-10-5-11(14)13(17-4)12(6-10)16-3/h5-6,9,15H,7-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,17,15,12,8,4,6,2,7,11,9,10,13,5,16,14/E:(1,2)/rA:17nCCCCNCCCCCCCClOCOC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s10;s14;s9;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20ClNO2 |
All Atoms: | 37 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.86322 |
Area: | 465.75 |
Solvation: | -3.78054 |
Coulombic: | -24.9575 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 257.756 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.8 |
LogP (Chemaxon): | 2.8 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|