Chemical ID: 5571071

CCc1cccc(c1)OCC(CNCCc2ccccc2)O
Chemical ID:
5571071
Name [?]:
1-(3-ethylphenoxy)-3-phenethylamino-propan-2-ol
SMILES [?]:
CCc1cccc(c1)OCC(CNCCc2ccccc2)O
InChi [?]:
InChI=1/C19H25NO2/c1-2-16-9-6-10-19(13-16)22-15-18(21)14-20-12-11-17-7-4-3-5-8-17/h3-10,13,18,20-21H,2,11-12,14-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,19,18,20,5,17,21,4,6,15,14,8,12,10,3,16,11,7,13,22,9/E:(4,5)(7,8)/rA:22cCCCCCCCCOCCCNCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.38074
Area:560.38
Solvation:-4.62876
Coulombic:-35.1612
Bond Count [?]
All:23
Single:17
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:299.407
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.65
LogP (Chemaxon):3.93

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