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Chemical ID: 7513363
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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Chemical Mix | Source | External ID | Descriptor | Value |
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