ChemDB: Chemical Search
Download
Chemical ID: 4122147
Chemical ID:
4122147
Name [?]:
N-[(4-ethoxyphenyl)methyl]-3-morpholino-propan-1-amine
SMILES [?]:
CCOc1ccc(cc1)CNCCCN2CCOCC2
InChi [?]:
InChI=1/C16H26N2O2/c1-2-20-16-6-4-15(5-7-16)14-17-8-3-9-18-10-12-19-13-11-18/h4-7,17H,2-3,8-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,6,8,5,9,12,14,16,20,17,19,10,7,4,11,15,18,3/E:(4,5)(6,7)(10,11)(12,13)/rA:20nCCOCCCCCCCNCCCNCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H26N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.76033 |
Area: | 520.639 |
Solvation: | -4.25565 |
Coulombic: | -29.7434 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 278.39 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.68 |
LogP (Chemaxon): | 1.35 |
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 |
---|