Chemical ID: 4119522

CCOc1cccc(c1)C(CNC)O
Chemical ID:
4119522
Name [?]:
1-(3-ethoxyphenyl)-2-methylamino-ethanol
SMILES [?]:
CCOc1cccc(c1)C(CNC)O
InChi [?]:
InChI=1/C11H17NO2/c1-3-14-10-6-4-5-9(7-10)11(13)8-12-2/h4-7,11-13H,3,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,6,7,5,9,11,8,4,10,12,14,3/rA:14cCCOCCCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;s12;s10;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H17NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.17604
Area:394.138
Solvation:-3.67742
Coulombic:-33.4175
Bond Count [?]
All:14
Single:11
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:195.258
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.27
LogP (Chemaxon):1.29

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