Chemical ID: 4183508

COc1cc(cc(c1)OC)CNc2ccc(cc2)Br
Chemical ID:
4183508
Name [?]:
4-bromo-N-[(3,5-dimethoxyphenyl)methyl]aniline
SMILES [?]:
COc1cc(cc(c1)OC)CNc2ccc(cc2)Br
InChi [?]:
InChI=1/C15H16BrNO2/c1-18-14-7-11(8-15(9-14)19-2)10-17-13-5-3-12(16)4-6-13/h3-9,17H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,15,17,14,18,4,6,8,11,5,16,13,3,7,19,12,2,9/E:(1,2)(3,4)(5,6)(7,8)(14,15)(18,19)/rA:19nCOCCCCCCOCCNCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16BrNO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.15864
Area:478.924
Solvation:-3.81445
Coulombic:-27.0515
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:322.197
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.01
LogP (Chemaxon):3.68

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