Chemical ID: 3965642

Cc1cccc(c1)OCC(CNCCc2ccc(c(c2)OC)OC)O
Chemical ID:
3965642
Name [?]:
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)-propan-2-ol
SMILES [?]:
Cc1cccc(c1)OCC(CNCCc2ccc(c(c2)OC)OC)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H27NO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:7.00237
Area:607.212
Solvation:-8.17793
Coulombic:-47.241
Bond Count [?]
All:26
Single:20
Double:6
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:345.433
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.75
LogP (Chemaxon):3.03

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