ChemDB: Chemical Search
Download
Chemical ID: 7089860
Chemical ID:
7089860
Name [?]:
N-[(4-isopropylphenyl)methyl]-1-phenyl-ethanamine
SMILES [?]:
CC(C)c1ccc(cc1)CNC(C)c2ccccc2
InChi [?]:
InChI=1/C18H23N/c1-14(2)17-11-9-16(10-12-17)13-19-15(3)18-7-5-4-6-8-18/h4-12,14-15,19H,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,13,17,16,18,15,19,6,8,5,9,10,2,12,7,4,14,11/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:19cCCCCCCCCCCNCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s12;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23N |
All Atoms: | 42 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8326 |
Area: | 485.601 |
Solvation: | -1.30744 |
Coulombic: | -13.043 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 253.382 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.17 |
LogP (Chemaxon): | 4.96 |
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 |
---|