ChemDB: Chemical Search
Download
Chemical ID: 7110309
Chemical ID:
7110309
Name [?]:
N-[(3-methoxy-4-phenethyloxy-phenyl)methyl]propan-1-amine
SMILES [?]:
CCCNCc1ccc(c(c1)OC)OCCc2ccccc2
InChi [?]:
InChI=1/C19H25NO2/c1-3-12-20-15-17-9-10-18(19(14-17)21-2)22-13-11-16-7-5-4-6-8-16/h4-10,14,20H,3,11-13,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,20,19,21,18,22,7,8,16,3,15,11,5,17,6,9,10,4,12,14/E:(5,6)(7,8)/rA:22nCCCNCCCCCCCOCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;s9;s14;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25NO2 |
All Atoms: | 47 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.3871 |
Area: | 554.707 |
Solvation: | -4.48057 |
Coulombic: | -26.0273 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 299.407 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.74 |
LogP (Chemaxon): | 3.91 |
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 |
---|