ChemDB: Chemical Search
Download
Chemical ID: 7512658
Chemical ID:
7512658
Name [?]:
N-[2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]-2-methyl-cyclohexan-1-amine
SMILES [?]:
CC1CCCCC1NC(C)Cc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C18H29NO2/c1-13-7-5-6-8-16(13)19-14(2)11-15-9-10-17(20-3)18(12-15)21-4/h9-10,12-14,16,19H,5-8,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,10,21,19,4,5,3,6,13,14,11,17,2,9,12,7,15,16,8,20,18/rA:21cCCCCCCCNCCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H29NO2 |
All Atoms: | 50 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.78067 |
Area: | 480.707 |
Solvation: | -4.23702 |
Coulombic: | -24.7816 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.84 |
LogP (Chemaxon): | None |
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 |
---|