Chemical ID: 7061810

CN(CCCOc1ccc(cc1)Br)C2CCCCC2
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

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Descriptor Annotations

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