Chemical ID: 4295311

COc1ccc(cc1CNc2ccc(cc2)Br)Br
Chemical ID:
4295311
Name [?]:
4-bromo-N-[(5-bromo-2-methoxy-phenyl)methyl]aniline
SMILES [?]:
COc1ccc(cc1CNc2ccc(cc2)Br)Br
InChi [?]:
InChI=1/C14H13Br2NO/c1-18-14-7-4-12(16)8-10(14)9-17-13-5-2-11(15)3-6-13/h2-8,17H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,15,5,12,16,4,7,9,8,14,6,11,3,17,18,10,2/E:(2,3)(5,6)/rA:18nCOCCCCCCCNCCCCCCBrBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s6;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13Br2NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.23463
Area:469.591
Solvation:-2.50516
Coulombic:-20.6143
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:371.067
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.89
LogP (Chemaxon):4.73

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