Chemical ID: 4179247

CCN(CC)CCOc1cccc(c1)C
Chemical ID:
4179247
Name [?]:
N-ethyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
SMILES [?]:
CCN(CC)CCOc1cccc(c1)C
InChi [?]:
InChI=1/C13H21NO/c1-4-14(5-2)9-10-15-13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,15,2,4,11,12,10,6,7,14,13,9,3,8/E:(1,2)(4,5)/rA:15nCCNCCCCOCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.28857
Area:414.894
Solvation:-2.08379
Coulombic:-13.8554
Bond Count [?]
All:15
Single:12
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:207.312
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.07
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