ChemDB: Chemical Search
Download
Chemical ID: 7061796
Chemical ID:
7061796
Name [?]:
N-[3-(2-chlorophenoxy)propyl]-N-methyl-butan-1-amine
SMILES [?]:
CCCCN(C)CCCOc1ccccc1Cl
InChi [?]:
InChI=1/C14H22ClNO/c1-3-4-10-16(2)11-7-12-17-14-9-6-5-8-13(14)15/h5-6,8-9H,3-4,7,10-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,2,3,14,13,8,15,12,4,7,9,16,11,17,5,10/rA:17cCCCCNCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22ClNO |
All Atoms: | 39 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.74594 |
Area: | 488.832 |
Solvation: | -2.47485 |
Coulombic: | -14.9127 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 255.783 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.12 |
LogP (Chemaxon): | 3.55 |
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 |
---|