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Chemical ID: 4119937
Chemical ID:
4119937
Name [?]:
N-(2-furylmethyl)-1-(p-tolyl)but-3-en-1-amine
SMILES [?]:
Cc1ccc(cc1)C(CC=C)NCc2ccco2
InChi [?]:
InChI=1/C16H19NO/c1-3-5-16(14-9-7-13(2)8-10-14)17-12-15-6-4-11-18-15/h3-4,6-11,16-17H,1,5,12H2,2H3
InChi Info:
AuxInfo=1/0/N:11,1,10,16,9,15,3,7,4,6,17,13,2,5,14,8,12,18/E:(7,8)(9,10)/rA:18cCCCCCCCCCCCNCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s8;s12;s13;d14;s15;d16;s14s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.22701 |
Area: | 464.537 |
Solvation: | -2.38641 |
Coulombic: | -18.9038 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 241.328 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.46 |
LogP (Chemaxon): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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