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Chemical ID: 4119934
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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