ChemDB: Chemical Search
Download
Chemical ID: 4297993
Chemical ID:
4297993
Name [?]:
N-[3-(2-ethylphenoxy)propyl]butan-1-amine
SMILES [?]:
CCCCNCCCOc1ccccc1CC
InChi [?]:
InChI=1/C15H25NO/c1-3-5-11-16-12-8-13-17-15-10-7-6-9-14(15)4-2/h6-7,9-10,16H,3-5,8,11-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,16,3,13,12,7,14,11,4,6,8,15,10,5,9/rA:17nCCCCNCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.94346 |
Area: | 485.065 |
Solvation: | -2.18317 |
Coulombic: | -18.6348 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 235.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.95 |
LogP (Chemaxon): | 3.53 |
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 |
---|