Chemical ID: 7102641

CCOc1cc(cc(c1OC)Br)CNCCc2ccccc2
Chemical ID:
7102641
Name [?]:
N-[(3-bromo-5-ethoxy-4-methoxy-phenyl)methyl]-2-phenyl-ethanamine
SMILES [?]:
CCOc1cc(cc(c1OC)Br)CNCCc2ccccc2
InChi [?]:
InChI=1/C18H22BrNO2/c1-3-22-17-12-15(11-16(19)18(17)21-2)13-20-10-9-14-7-5-4-6-8-14/h4-8,11-12,20H,3,9-10,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,20,19,21,18,22,16,15,7,5,13,17,6,8,4,9,12,14,10,3/E:(5,6)(7,8)/rA:22nCCOCCCCCCOCBrCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s8;s6;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22BrNO2
All Atoms:44
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.8802
Area:556.248
Solvation:-4.026
Coulombic:-26.0205
Bond Count [?]
All:23
Single:17
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:364.277
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.18
LogP (Chemaxon):4.23

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Descriptor Annotations

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