Chemical ID: 5571195

CN(Cc1ccc(cc1)Br)CC(COc2cccc(c2)Br)O
Chemical ID:
5571195
Name [?]:
1-(3-bromophenoxy)-3-[(4-bromophenyl)methyl-methyl-amino]-propan-2-ol
SMILES [?]:
CN(Cc1ccc(cc1)Br)CC(COc2cccc(c2)Br)O
InChi [?]:
InChI=1/C17H19Br2NO2/c1-20(10-13-5-7-14(18)8-6-13)11-16(21)12-22-17-4-2-3-15(19)9-17/h2-9,16,21H,10-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,18,16,5,9,6,8,20,3,11,13,4,7,19,12,15,10,21,2,22,14/E:(5,6)(7,8)/rA:22cCNCCCCCCCBrCCCOCCCCCCBrO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s2;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s19;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19Br2NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:9.34504
Area:553.298
Solvation:-4.48741
Coulombic:-30.857
Bond Count [?]
All:23
Single:17
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:429.146
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.42
LogP (Chemaxon):4.76

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