Chemical ID: 7288520

Cc1ccc(cc1)CNCc2cc(ccc2OCC#C)Br
Chemical ID:
7288520
Name [?]:
N-[(5-bromo-2-prop-2-ynoxy-phenyl)methyl]-1-(p-tolyl)methanamine
SMILES [?]:
Cc1ccc(cc1)CNCc2cc(ccc2OCC#C)Br
InChi [?]:
InChI=1/C18H18BrNO/c1-3-10-21-18-9-8-17(19)11-16(18)13-20-12-15-6-4-14(2)5-7-15/h1,4-9,11,20H,10,12-13H2,2H3
InChi Info:
AuxInfo=1/0/N:20,1,19,3,7,4,6,14,15,18,12,8,10,2,5,11,13,16,21,9,17/E:(4,5)(6,7)/rA:21nCCCCCCCCNCCCCCCCOCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s18;t19;s13;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18BrNO
All Atoms:39
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.1102
Area:537.661
Solvation:-3.3313
Coulombic:-20.2002
Bond Count [?]
All:22
Single:15
Double:6
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:344.246
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.66
LogP (Chemaxon):4.63

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