ChemDB: Chemical Search
Download
Chemical ID: 7102773
Chemical ID:
7102773
Name [?]:
N-[(5-chloro-2-ethoxy-phenyl)methyl]ethanamine
SMILES [?]:
CCNCc1cc(ccc1OCC)Cl
InChi [?]:
InChI=1/C11H16ClNO/c1-3-13-8-9-7-10(12)5-6-11(9)14-4-2/h5-7,13H,3-4,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,12,8,9,6,4,5,7,10,14,3,11/rA:14nCCNCCCCCCCOCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s7;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16ClNO |
All Atoms: | 30 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.83817 |
Area: | 411.167 |
Solvation: | -2.44101 |
Coulombic: | -16.9911 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 213.704 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.92 |
LogP (Chemaxon): | 2.52 |
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 |
---|