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Chemical ID: 7061810
Chemical ID:
7061810
Name [?]:
N-[3-(4-bromophenoxy)propyl]-N-methyl-cyclohexanamine
SMILES [?]:
CN(CCCOc1ccc(cc1)Br)C2CCCCC2
InChi [?]:
InChI=1/C16H24BrNO/c1-18(15-6-3-2-4-7-15)12-5-13-19-16-10-8-14(17)9-11-16/h8-11,15H,2-7,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,4,15,19,9,11,8,12,3,5,10,14,7,13,2,6/E:(3,4)(6,7)(8,9)(10,11)/rA:19cCNCCCOCCCCCCBrCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s2;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24BrNO |
All Atoms: | 43 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.1574 |
Area: | 498.058 |
Solvation: | -2.29405 |
Coulombic: | -14.2853 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 326.272 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.77 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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