Chemical ID: 7093454

CCOc1ccc(cc1)NCc2cccnc2
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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Descriptor Annotations

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