Chemical ID: 4182282

Cc1cc(cc(c1)NCc2cc(ccc2OC)Br)C
Chemical ID:
4182282
Name [?]:
N-[(5-bromo-2-methoxy-phenyl)methyl]-3,5-dimethyl-aniline
SMILES [?]:
Cc1cc(cc(c1)NCc2cc(ccc2OC)Br)C
InChi [?]:
InChI=1/C16H18BrNO/c1-11-6-12(2)8-15(7-11)18-10-13-9-14(17)4-5-16(13)19-3/h4-9,18H,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,17,13,14,3,7,5,11,9,2,4,10,12,6,15,18,8,16/E:(1,2)(7,8)(11,12)/rA:19nCCCCCCCNCCCCCCCOCBrC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s12;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18BrNO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.41679
Area:481.82
Solvation:-2.6287
Coulombic:-20.3885
Bond Count [?]
All:20
Single:14
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:320.224
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.97
LogP (Chemaxon):4.87

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