ChemDB: Chemical Search
Download
Chemical ID: 6461403
Chemical ID:
6461403
Name [?]:
N-[(2-ethoxyphenyl)methyl]-1-phenyl-ethanamine
SMILES [?]:
CCOc1ccccc1CNC(C)c2ccccc2
InChi [?]:
InChI=1/C17H21NO/c1-3-19-17-12-8-7-11-16(17)13-18-14(2)15-9-5-4-6-10-15/h4-12,14,18H,3,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,17,16,18,7,6,15,19,8,5,10,12,14,9,4,11,3/E:(5,6)(9,10)/rA:19cCCOCCCCCCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s12;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.58771 |
Area: | 478.196 |
Solvation: | -2.36719 |
Coulombic: | -19.4806 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 255.355 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.11 |
LogP (Chemaxon): | 3.85 |
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 |
---|