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Chemical ID: 6670062
Chemical ID:
6670062
Name [?]:
N-[(4-dimethylaminophenyl)methyl]-4-ethoxy-aniline
SMILES [?]:
CCOc1ccc(cc1)NCc2ccc(cc2)N(C)C
InChi [?]:
InChI=1/C17H22N2O/c1-4-20-17-11-7-15(8-12-17)18-13-14-5-9-16(10-6-14)19(2)3/h5-12,18H,4,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,20,2,13,17,6,8,14,16,5,9,11,12,7,15,4,10,18,3/E:(2,3)(5,6)(7,8)(9,10)(11,12)/rA:20nCCOCCCCCCNCCCCCCCNCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s15;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.59704 |
Area: | 503.727 |
Solvation: | -2.99614 |
Coulombic: | -26.6063 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 270.369 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.92 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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