ChemDB: Chemical Search
Download
Chemical ID: 7244349
Chemical ID:
7244349
Name [?]:
N,N-diethyl-N'-(2-thienylmethyl)benzene-1,4-diamine
SMILES [?]:
CCN(CC)c1ccc(cc1)NCc2cccs2
InChi [?]:
InChI=1/C15H20N2S/c1-3-17(4-2)14-9-7-13(8-10-14)16-12-15-6-5-11-18-15/h5-11,16H,3-4,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,16,15,8,10,7,11,17,13,9,6,14,12,3,18/E:(1,2)(3,4)(7,8)(9,10)/rA:18nCCNCCCCCCCCNCCCCCS/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s15;d16;s14s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2S |
All Atoms: | 38 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3412 |
Area: | 480.165 |
Solvation: | -1.66294 |
Coulombic: | -19.9375 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 260.399 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.49 |
LogP (Chemaxon): | 3.76 |
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 |
---|