Chemical ID: 7101788

CCCNCc1ccc(c(c1)OC)OCc2ccccc2
Chemical ID:
7101788
Name [?]:
N-[(4-benzyloxy-3-methoxy-phenyl)methyl]propan-1-amine
SMILES [?]:
CCCNCc1ccc(c(c1)OC)OCc2ccccc2
InChi [?]:
InChI=1/C18H23NO2/c1-3-11-19-13-16-9-10-17(18(12-16)20-2)21-14-15-7-5-4-6-8-15/h4-10,12,19H,3,11,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,19,18,20,17,21,7,8,3,11,5,15,16,6,9,10,4,12,14/E:(5,6)(7,8)/rA:21nCCCNCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;s9;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23NO2
All Atoms:44
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.48191
Area:531.434
Solvation:-4.80394
Coulombic:-25.6777
Bond Count [?]
All:22
Single:16
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:285.381
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.59
LogP (Chemaxon):3.65

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