Chemical ID: 4121437

COc1ccc(cc1OC)CCNCc2cccnc2
Chemical ID:
4121437
Name [?]:
2-(3,4-dimethoxyphenyl)-N-(3-pyridylmethyl)ethanamine
SMILES [?]:
COc1ccc(cc1OC)CCNCc2cccnc2
InChi [?]:
InChI=1/C16H20N2O2/c1-19-15-6-5-13(10-16(15)20-2)7-9-18-12-14-4-3-8-17-11-14/h3-6,8,10-11,18H,7,9,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,17,16,5,4,11,18,12,7,20,14,6,15,3,8,19,13,2,9/rA:20nCOCCCCCCOCCCNCCCCCNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.97355
Area:500.412
Solvation:-5.53676
Coulombic:-27.8378
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:272.342
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.71
LogP (Chemaxon):1.78

Name Annotations

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Descriptor Annotations

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