ChemDB: Chemical Search
Download
Chemical ID: 5119655
Chemical ID:
5119655
Name [?]:
1-(4-bromophenyl)-N,N-dimethyl-ethanamine
SMILES [?]:
CC(c1ccc(cc1)Br)N(C)C
InChi [?]:
InChI=1/C10H14BrN/c1-8(12(2)3)9-4-6-10(11)7-5-9/h4-8H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,11,12,4,8,5,7,2,3,6,9,10/E:(2,3)(4,5)(6,7)/rA:12cCCCCCCCCBrNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s2;s10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14BrN |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.92002 |
Area: | 350.638 |
Solvation: | -0.845937 |
Coulombic: | -6.96983 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 228.129 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.1 |
LogP (Chemaxon): | 3.14 |
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 |
---|