Chemical ID: 7513363

CCCCNCCOc1ccc(cc1)F
Chemical ID:
7513363
Name [?]:
N-[2-(4-fluorophenoxy)ethyl]butan-1-amine
SMILES [?]:
CCCCNCCOc1ccc(cc1)F
InChi [?]:
InChI=1/C12H18FNO/c1-2-3-8-14-9-10-15-12-6-4-11(13)5-7-12/h4-7,14H,2-3,8-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,11,13,10,14,4,6,7,12,9,15,5,8/E:(4,5)(6,7)/rA:15nCCCCNCCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18FNO
All Atoms:33
Heavy Atoms:15
Chiral Atoms:None
ZAP Information [?]
Total:6.97912
Area:418.525
Solvation:-3.48401
Coulombic:-20.3774
Bond Count [?]
All:15
Single:12
Double:3
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.06
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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