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Chemical ID: 7093454
Chemical ID:
7093454
Name [?]:
4-ethoxy-N-(3-pyridylmethyl)aniline
SMILES [?]:
CCOc1ccc(cc1)NCc2cccnc2
InChi [?]:
InChI=1/C14H16N2O/c1-2-17-14-7-5-13(6-8-14)16-11-12-4-3-9-15-10-12/h3-10,16H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,13,6,8,5,9,15,17,11,12,7,4,16,10,3/E:(5,6)(7,8)/rA:17nCCOCCCCCCNCCCCCNC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2O |
All Atoms: | 33 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.90468 |
Area: | 438.713 |
Solvation: | -3.06315 |
Coulombic: | -24.2284 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 228.29 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.46 |
LogP (Chemaxon): | 2.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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