Chemical ID: 4441743

CN(C)CCCCOc1ccccc1F
Chemical ID:
4441743
Name [?]:
4-(2-fluorophenoxy)-N,N-dimethyl-butan-1-amine
SMILES [?]:
CN(C)CCCCOc1ccccc1F
InChi [?]:
InChI=1/C12H18FNO/c1-14(2)9-5-6-10-15-12-8-4-3-7-11(12)13/h3-4,7-8H,5-6,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,12,11,5,6,13,10,4,7,14,9,15,2,8/E:(1,2)/rA:15nCNCCCCCOCCCCCCF/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18FNO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.83425
Area:413.007
Solvation:-3.49092
Coulombic:-17.5569
Bond Count [?]
All:15
Single:12
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:211.276
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.67
LogP (Chemaxon):2.42

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