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Chemical ID: 4253393
Chemical ID:
4253393
Name [?]:
2-(4-fluorophenyl)-2-phenyl-ethanamine
SMILES [?]:
c1ccc(cc1)C(CN)c2ccc(cc2)F
InChi [?]:
InChI=1/C14H14FN/c15-13-8-6-12(7-9-13)14(10-16)11-4-2-1-3-5-11/h1-9,14H,10,16H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,11,15,12,14,8,4,10,13,7,16,9/E:(2,3)(4,5)(6,7)(8,9)/rA:16cCCCCCCCCNCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s7;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14FN |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.4768 |
Area: | 389.524 |
Solvation: | -2.26129 |
Coulombic: | -18.9094 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 215.266 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 2.95 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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