Chemical ID: 7061724

CN(CCOc1ccc(cc1)Br)C2CCCCC2
Chemical ID:
7061724
Name [?]:
N-[2-(4-bromophenoxy)ethyl]-N-methyl-cyclohexanamine
SMILES [?]:
CN(CCOc1ccc(cc1)Br)C2CCCCC2
InChi [?]:
InChI=1/C15H22BrNO/c1-17(14-5-3-2-4-6-14)11-12-18-15-9-7-13(16)8-10-15/h7-10,14H,2-6,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,18,8,10,7,11,3,4,9,13,6,12,2,5/E:(3,4)(5,6)(7,8)(9,10)/rA:18cCNCCOCCCCCCBrCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s2;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22BrNO
All Atoms:40
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.91488
Area:465.84
Solvation:-2.73113
Coulombic:-13.6569
Bond Count [?]
All:19
Single:16
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:312.245
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.42
LogP (Chemaxon):4.15

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