Chemical ID: 4119934

C=CCC(c1ccccc1)NCc2ccco2
Chemical ID:
4119934
Name [?]:
N-(2-furylmethyl)-1-phenyl-but-3-en-1-amine
SMILES [?]:
C=CCC(c1ccccc1)NCc2ccco2
InChi [?]:
InChI=1/C15H17NO/c1-2-7-15(13-8-4-3-5-9-13)16-12-14-10-6-11-17-14/h2-6,8-11,15-16H,1,7,12H2
InChi Info:
AuxInfo=1/0/N:1,2,8,7,9,15,3,6,10,14,16,12,5,13,4,11,17/E:(4,5)(8,9)/rA:17cCCCCCCCCCCNCCCCCO/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s4;s11;s12;d13;s14;d15;s13s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.82112
Area:442.046
Solvation:-2.23004
Coulombic:-19.3756
Bond Count [?]
All:18
Single:12
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:227.302
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.03
LogP (Chemaxon):3.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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