ChemDB: Chemical Search
Download
Chemical ID: 7110913
Chemical ID:
7110913
Name [?]:
N-[(4-isopropylphenyl)methyl]-2-methyl-propan-1-amine
SMILES [?]:
CC(C)CNCc1ccc(cc1)C(C)C
InChi [?]:
InChI=1/C14H23N/c1-11(2)9-15-10-13-5-7-14(8-6-13)12(3)4/h5-8,11-12,15H,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,14,15,8,12,9,11,4,6,2,13,7,10,5/E:(1,2)(3,4)(5,6)(7,8)/rA:15nCCCCNCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H23N |
All Atoms: | 38 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.75014 |
Area: | 429.622 |
Solvation: | -0.990417 |
Coulombic: | -11.7828 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 205.339 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.02 |
LogP (Chemaxon): | 3.98 |
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 |
---|