Chemical ID: 4121785

COc1ccc(cc1OC)CNCc2cccnc2
Chemical ID:
4121785
Name [?]:
1-(3,4-dimethoxyphenyl)-N-(3-pyridylmethyl)methanamine
SMILES [?]:
COc1ccc(cc1OC)CNCc2cccnc2
InChi [?]:
InChI=1/C15H18N2O2/c1-18-14-6-5-12(8-15(14)19-2)9-17-11-13-4-3-7-16-10-13/h3-8,10,17H,9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,16,15,5,4,17,7,11,19,13,6,14,3,8,18,12,2,9/rA:19nCOCCCCCCOCCNCCCCCNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:6.26136
Area:475.582
Solvation:-5.62819
Coulombic:-27.5321
Bond Count [?]
All:20
Single:14
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:258.316
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.55
LogP (Chemaxon):1.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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