ChemDB: Chemical Search
Download
Chemical ID: 6436108
Chemical ID:
6436108
Name [?]:
N-allyl-3-(2-isopropyl-5-methyl-phenoxy)-propan-1-amine
SMILES [?]:
Cc1ccc(c(c1)OCCCNCC=C)C(C)C
InChi [?]:
InChI=1/C16H25NO/c1-5-9-17-10-6-11-18-16-12-14(4)7-8-15(16)13(2)3/h5,7-8,12-13,17H,1,6,9-11H2,2-4H3
InChi Info:
AuxInfo=1/0/N:15,17,18,1,14,10,3,4,13,11,9,7,16,2,5,6,12,8/E:(2,3)/rA:18nCCCCCCCOCCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;d14;s5;s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0437 |
Area: | 496.004 |
Solvation: | -2.3564 |
Coulombic: | -19.5213 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 247.376 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.15 |
LogP (Chemaxon): | 3.87 |
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 |
---|