Chemical ID: 4119938

COc1ccc(cc1OC)C(CC=C)NCc2ccco2
Chemical ID:
4119938
Name [?]:
1-(3,4-dimethoxyphenyl)-N-(2-furylmethyl)but-3-en-1-amine
SMILES [?]:
COc1ccc(cc1OC)C(CC=C)NCc2ccco2
InChi [?]:
InChI=1/C17H21NO3/c1-4-6-15(18-12-14-7-5-10-21-14)13-8-9-16(19-2)17(11-13)20-3/h4-5,7-11,15,18H,1,6,12H2,2-3H3
InChi Info:
AuxInfo=1/0/N:14,1,10,13,19,12,18,5,4,20,7,16,6,17,11,3,8,15,2,9,21/rA:21cCOCCCCCCOCCCCCNCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;d13;s11;s15;s16;d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:7.00579
Area:514.892
Solvation:-5.86651
Coulombic:-31.5154
Bond Count [?]
All:22
Single:16
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:287.354
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.59
LogP (Chemaxon):2.85

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Descriptor Annotations

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