Chemical ID: 7104997

CCOc1c(cc(cc1Br)Br)CNCC=C
Chemical ID:
7104997
Name [?]:
N-[(3,5-dibromo-2-ethoxy-phenyl)methyl]prop-2-en-1-amine
SMILES [?]:
CCOc1c(cc(cc1Br)Br)CNCC=C
InChi [?]:
InChI=1/C12H15Br2NO/c1-3-5-15-8-9-6-10(13)7-11(14)12(9)16-4-2/h3,6-7,15H,1,4-5,8H2,2H3
InChi Info:
AuxInfo=1/0/N:16,1,15,2,14,6,8,12,5,7,9,4,11,10,13,3/rA:16nCCOCCCCCCBrBrCNCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;s5;s12;s13;s14;d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15Br2NO
All Atoms:31
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.21831
Area:452.402
Solvation:-2.09174
Coulombic:-18.7575
Bond Count [?]
All:16
Single:12
Double:4
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:349.062
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.08
LogP (Chemaxon):3.99

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