Chemical ID: 7101386

CCOc1ccccc1CNCC(C)O
Chemical ID:
7101386
Name [?]:
1-[(2-ethoxyphenyl)methylamino]propan-2-ol
SMILES [?]:
CCOc1ccccc1CNCC(C)O
InChi [?]:
InChI=1/C12H19NO2/c1-3-15-12-7-5-4-6-11(12)9-13-8-10(2)14/h4-7,10,13-14H,3,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,2,7,6,8,5,12,10,13,9,4,11,15,3/rA:15cCCOCCCCCCCNCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19NO2
All Atoms:34
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:6.80234
Area:418.101
Solvation:-3.65018
Coulombic:-33.3954
Bond Count [?]
All:15
Single:12
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:209.285
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.62
LogP (Chemaxon):1.63

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