ChemDB: Chemical Search
Download
Chemical ID: 4121785
Chemical ID:
4121785
Name [?]:
1-(3,4-dimethoxyphenyl)-N-(3-pyridylmethyl)methanamine
SMILES [?]:
COc1ccc(cc1OC)CNCc2cccnc2
InChi [?]:
InChI=1/C15H18N2O2/c1-18-14-6-5-12(8-15(14)19-2)9-17-11-13-4-3-7-16-10-13/h3-8,10,17H,9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,16,15,5,4,17,7,11,19,13,6,14,3,8,18,12,2,9/rA:19nCOCCCCCCOCCNCCCCCNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.26136 |
Area: | 475.582 |
Solvation: | -5.62819 |
Coulombic: | -27.5321 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 258.316 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.55 |
LogP (Chemaxon): | 1.53 |
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 |
---|