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Chemical ID: 7105156
Chemical ID:
7105156
Name [?]:
2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine
SMILES [?]:
c1ccc(c(c1)CNCCc2ccc(cc2)F)F
InChi [?]:
InChI=1/C15H15F2N/c16-14-7-5-12(6-8-14)9-10-18-11-13-3-1-2-4-15(13)17/h1-8,18H,9-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,12,16,13,15,10,9,7,11,5,14,4,17,18,8/E:(5,6)(7,8)/rA:18nCCCCCCCNCCCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15F2N |
All Atoms: | 33 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.20479 |
Area: | 441.467 |
Solvation: | -2.83189 |
Coulombic: | -19.2045 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.283 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.72 |
LogP (Chemaxon): | 3.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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