Chemical ID: 4235661

COCCNCCOc1ccccc1c2ccccc2
Chemical ID:
4235661
Name [?]:
2-methoxy-N-[2-(2-phenylphenoxy)ethyl]ethanamine
SMILES [?]:
COCCNCCOc1ccccc1c2ccccc2
InChi [?]:
InChI=1/C17H21NO2/c1-19-13-11-18-12-14-20-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,12,11,16,20,13,10,4,6,3,7,15,14,9,5,2,8/E:(3,4)(7,8)/rA:20nCOCCNCCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.96837
Area:499.169
Solvation:-4.51085
Coulombic:-26.0514
Bond Count [?]
All:21
Single:15
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:271.354
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.3
LogP (Chemaxon):2.93

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