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Chemical ID: 7109011
Chemical ID:
7109011
Name [?]:
N-[(4-isopropylphenyl)methyl]-2-(4-methoxyphenyl)-ethanamine
SMILES [?]:
CC(C)c1ccc(cc1)CNCCc2ccc(cc2)OC
InChi [?]:
InChI=1/C19H25NO/c1-15(2)18-8-4-17(5-9-18)14-20-13-12-16-6-10-19(21-3)11-7-16/h4-11,15,20H,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,21,6,8,15,19,5,9,16,18,13,12,10,2,14,7,4,17,11,20/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:21nCCCCCCCCCCNCCCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s17;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25NO |
All Atoms: | 46 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5733 |
Area: | 532.925 |
Solvation: | -2.74986 |
Coulombic: | -19.2011 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 283.408 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.72 |
LogP (Chemaxon): | 4.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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