ChemDB: Chemical Search
Download
Chemical ID: 4288865
Chemical ID:
4288865
Name [?]:
N-[(4-butoxyphenyl)methyl]indan-5-amine
SMILES [?]:
CCCCOc1ccc(cc1)CNc2ccc3c(c2)CCC3
InChi [?]:
InChI=1/C20H25NO/c1-2-3-13-22-20-11-7-16(8-12-20)15-21-19-10-9-17-5-4-6-18(17)14-19/h7-12,14,21H,2-6,13,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,21,22,20,8,10,16,15,7,11,4,19,12,9,17,18,14,6,13,5/E:(7,8)(11,12)/rA:22nCCCCOCCCCCCCNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0862 |
Area: | 540.437 |
Solvation: | -2.42468 |
Coulombic: | -21.8503 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 295.419 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.54 |
LogP (Chemaxon): | 5.18 |
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 |
---|