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Chemical ID: 4236964
Chemical ID:
4236964
Name [?]:
N-[2-(4-fluorophenoxy)ethyl]butan-2-amine
SMILES [?]:
CCC(C)NCCOc1ccc(cc1)F
InChi [?]:
InChI=1/C12H18FNO/c1-3-10(2)14-8-9-15-12-6-4-11(13)5-7-12/h4-7,10,14H,3,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,11,13,10,14,6,7,3,12,9,15,5,8/E:(4,5)(6,7)/rA:15cCCCCNCCOCCCCCCF/rB:s1;s2;s3;s3;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18FNO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.77505 |
Area: | 408.829 |
Solvation: | -3.44567 |
Coulombic: | -20.139 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 211.276 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.95 |
LogP (Chemaxon): | 2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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