Chemical ID: 6420747

CN(C)CC=C(c1ccc(cc1)Br)c2cccnc2
Chemical ID:
6420747
Name [?]:
3-(4-bromophenyl)-N,N-dimethyl-3-(3-pyridyl)prop-2-en-1-amine
SMILES [?]:
CN(C)CC=C(c1ccc(cc1)Br)c2cccnc2
InChi [?]:
InChI=1/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,16,15,8,12,9,11,5,17,4,19,7,14,10,6,13,18,2/E:(1,2)(5,6)(7,8)/rA:19nCNCCCCCCCCCCBrCCCCNC/rB:s1;s2;s2;s4;w5;s6;s7;d8;s9;d10;d7s11;s10;s6;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17BrN2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.88444
Area:478.677
Solvation:-2.08248
Coulombic:-11.9796
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:317.224
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.78
LogP (Chemaxon):3.69

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Descriptor Annotations

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