Chemical ID: 5119655

CC(c1ccc(cc1)Br)N(C)C
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue