ChemDB: Chemical Search
Download
Chemical ID: 7102845
Chemical ID:
7102845
Name [?]:
N-[(3,4-diethoxyphenyl)methyl]hexan-1-amine
SMILES [?]:
CCCCCCNCc1ccc(c(c1)OCC)OCC
InChi [?]:
InChI=1/C17H29NO2/c1-4-7-8-9-12-18-14-15-10-11-16(19-5-2)17(13-15)20-6-3/h10-11,13,18H,4-9,12,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,17,2,19,16,3,4,5,10,11,6,14,8,9,12,13,7,18,15/rA:20nCCCCCCNCCCCCCCOCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s16;s12;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H29NO2 |
All Atoms: | 49 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.4961 |
Area: | 550.627 |
Solvation: | -4.26956 |
Coulombic: | -25.0775 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 279.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.43 |
LogP (Chemaxon): | 3.75 |
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 |
---|