Chemical ID: 4181450

Cc1cc(ccc1Br)NCc2ccc(cc2OC)OC
Chemical ID:
4181450
Name [?]:
4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-aniline
SMILES [?]:
Cc1cc(ccc1Br)NCc2ccc(cc2OC)OC
InChi [?]:
InChI=1/C16H18BrNO2/c1-11-8-13(5-7-15(11)17)18-10-12-4-6-14(19-2)9-16(12)20-3/h4-9,18H,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,18,12,5,13,6,3,15,10,2,11,4,14,7,16,8,9,19,17/rA:20nCCCCCCCBrNCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18BrNO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.69776
Area:495.456
Solvation:-3.68863
Coulombic:-27.208
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:336.224
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.23
LogP (Chemaxon):4.15

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