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Chemical ID: 7061724
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
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Experimental Annotations
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Descriptor Annotations
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