ChemDB: Chemical Search
Download
Chemical ID: 7102266
Chemical ID:
7102266
Name [?]:
N-[(4-ethylphenyl)methyl]-2-methyl-propan-1-amine
SMILES [?]:
CCc1ccc(cc1)CNCC(C)C
InChi [?]:
InChI=1/C13H21N/c1-4-12-5-7-13(8-6-12)10-14-9-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,14,2,4,8,5,7,11,9,12,3,6,10/E:(2,3)(5,6)(7,8)/rA:14nCCCCCCCCCNCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21N |
All Atoms: | 35 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.2184 |
Area: | 409.68 |
Solvation: | -1.02359 |
Coulombic: | -11.5086 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 191.313 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.51 |
LogP (Chemaxon): | 3.65 |
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 |
---|