Chemical ID: 6572098

CC(=C)CC(c1ccco1)NCc2ccccc2
Chemical ID:
6572098
Name [?]:
N-benzyl-1-(2-furyl)-3-methyl-but-3-en-1-amine
SMILES [?]:
CC(=C)CC(c1ccco1)NCc2ccccc2
InChi [?]:
InChI=1/C16H19NO/c1-13(2)11-15(16-9-6-10-18-16)17-12-14-7-4-3-5-8-14/h3-10,15,17H,1,11-12H2,2H3
InChi Info:
AuxInfo=1/0/N:3,1,16,15,17,8,14,18,7,9,4,12,2,13,5,6,11,10/E:(4,5)(7,8)/rA:18cCCCCCCCCCONCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;s6s9;s5;s11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.38209
Area:451.431
Solvation:-2.90368
Coulombic:-18.2882
Bond Count [?]
All:19
Single:13
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:241.328
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.09
LogP (Chemaxon):3.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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