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Chemical ID: 7104320
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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