ChemDB: Chemical Search
Download
Chemical ID: 7061728
Chemical ID:
7061728
Name [?]:
N,N-dimethyl-3-(4-methylphenoxy)-propan-1-amine
SMILES [?]:
Cc1ccc(cc1)OCCCN(C)C
InChi [?]:
InChI=1/C12H19NO/c1-11-5-7-12(8-6-11)14-10-4-9-13(2)3/h5-8H,4,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,14,10,3,7,4,6,11,9,2,5,12,8/E:(2,3)(5,6)(7,8)/rA:14nCCCCCCCOCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19NO |
All Atoms: | 33 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.63882 |
Area: | 400.867 |
Solvation: | -2.38287 |
Coulombic: | -13.4429 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 193.285 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.58 |
LogP (Chemaxon): | 2.29 |
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 |
---|