Chemical ID: 4119937

Cc1ccc(cc1)C(CC=C)NCc2ccco2
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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Descriptor Annotations

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