Chemical ID: 7244353

Cc1ccc(cc1C)NCc2ccccc2OCC=C
Chemical ID:
7244353
Name [?]:
N-[(2-allyloxyphenyl)methyl]-3,4-dimethyl-aniline
SMILES [?]:
Cc1ccc(cc1C)NCc2ccccc2OCC=C
InChi [?]:
InChI=1/C18H21NO/c1-4-11-20-18-8-6-5-7-16(18)13-19-17-10-9-14(2)15(3)12-17/h4-10,12,19H,1,11,13H2,2-3H3
InChi Info:
AuxInfo=1/0/N:20,1,8,19,13,14,12,15,3,4,18,6,10,2,7,11,5,16,9,17/rA:20nCCCCCCCCNCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NO
All Atoms:41
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.86702
Area:501.035
Solvation:-2.65884
Coulombic:-22.6985
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:267.365
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.78
LogP (Chemaxon):4.82

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue