ChemDB: Chemical Search
Download
Chemical ID: 5553347
Chemical ID:
5553347
Name [?]:
2-(1H-indol-3-yl)-N-(2-naphthylmethyl)ethanamine
SMILES [?]:
c1ccc2cc(ccc2c1)CNCCc3c[nH]c4c3cccc4
InChi [?]:
InChI=1/C21H20N2/c1-2-6-18-13-16(9-10-17(18)5-1)14-22-12-11-19-15-23-21-8-4-3-7-20(19)21/h1-10,13,15,22-23H,11-12,14H2
InChi Info:
AuxInfo=1/0/N:1,2,21,22,10,3,20,23,7,8,14,13,5,11,16,6,9,4,15,19,18,12,17/rA:23nCCCCCCCCCCCNCCCCNCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;s12;s13;s14;d15;s16;s17;s15s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20N2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2629 |
Area: | 531.215 |
Solvation: | -2.01743 |
Coulombic: | -23.0951 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 300.397 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.74 |
LogP (Chemaxon): | 5.0 |
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 |
---|