ChemDB: Chemical Search
Download
Chemical ID: 5832217
Chemical ID:
5832217
Name [?]:
N-(2-furylmethyl)-1-(4-isopropylphenyl)-methanamine
SMILES [?]:
CC(C)c1ccc(cc1)CNCc2ccco2
InChi [?]:
InChI=1/C15H19NO/c1-12(2)14-7-5-13(6-8-14)10-16-11-15-4-3-9-17-15/h3-9,12,16H,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,15,14,6,8,5,9,16,10,12,2,7,4,13,11,17/E:(1,2)(5,6)(7,8)/rA:17nCCCCCCCCCCNCCCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;s13s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.83158 |
Area: | 449.109 |
Solvation: | -2.39615 |
Coulombic: | -17.5028 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 229.318 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.35 |
LogP (Chemaxon): | 3.49 |
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 |
---|