Chemical ID: 4986327

CCN(CCO)CC(c1ccccc1)O
Chemical ID:
4986327
Name [?]:
2-[ethyl-(2-hydroxy-2-phenyl-ethyl)-amino]ethanol
SMILES [?]:
CCN(CCO)CC(c1ccccc1)O
InChi [?]:
InChI=1/C12H19NO2/c1-2-13(8-9-14)10-12(15)11-6-4-3-5-7-11/h3-7,12,14-15H,2,8-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,12,11,13,10,14,4,5,7,9,8,3,6,15/E:(4,5)(6,7)/rA:15cCCNCCOCCCCCCCCO/rB:s1;s2;s3;s4;s5;s3;s7;s8;s9;d10;s11;d12;d9s13;s8;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:5.61936
Area:407.531
Solvation:-4.56891
Coulombic:-38.6387
Bond Count [?]
All:15
Single:12
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:209.285
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.88
LogP (Chemaxon):1.46

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