ChemDB: Chemical Search
Download
Chemical ID: 4489639
Chemical ID:
4489639
Name [?]:
N-[(5-bromo-2-cyclopentoxy-phenyl)methyl]-2-methyl-propan-2-amine
SMILES [?]:
CC(C)(C)NCc1cc(ccc1OC2CCCC2)Br
InChi [?]:
InChI=1/C16H24BrNO/c1-16(2,3)18-11-12-10-13(17)8-9-15(12)19-14-6-4-5-7-14/h8-10,14,18H,4-7,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,16,17,15,18,10,11,8,6,7,9,14,12,2,19,5,13/E:(1,2,3)(4,5)(6,7)/rA:19nCCCCNCCCCCCCOCCCCCBr/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;s16;s14s17;s9;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24BrNO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.84069 |
Area: | 483.221 |
Solvation: | -2.23984 |
Coulombic: | -17.6056 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 326.272 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.81 |
LogP (Chemaxon): | 4.13 |
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 |
---|