Chemical ID: 7104320

CCOc1cc(cc(c1OC)Br)CNCCc2ccc(cc2)OC
Chemical ID:
7104320
Name [?]:
N-[(3-bromo-5-ethoxy-4-methoxy-phenyl)methyl]-2-(4-methoxyphenyl)-ethanamine
SMILES [?]:
CCOc1cc(cc(c1OC)Br)CNCCc2ccc(cc2)OC
InChi [?]:
InChI=1/C19H24BrNO3/c1-4-24-18-12-15(11-17(20)19(18)23-3)13-21-10-9-14-5-7-16(22-2)8-6-14/h5-8,11-12,21H,4,9-10,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,11,2,18,22,19,21,16,15,7,5,13,17,6,20,8,4,9,12,14,23,10,3/E:(5,6)(7,8)/rA:24nCCOCCCCCCOCBrCNCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s8;s6;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24BrNO3
All Atoms:48
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.42098
Area:595.18
Solvation:-5.45852
Coulombic:-32.2082
Bond Count [?]
All:25
Single:19
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:394.303
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.1
LogP (Chemaxon):3.98

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Descriptor Annotations

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