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Chemical ID: 5829652
Chemical ID:
5829652
Name [?]:
N-benzyl-N-[(2-fluorophenyl)methyl]methanamine
SMILES [?]:
CN(Cc1ccccc1)Cc2ccccc2F
InChi [?]:
InChI=1/C15H16FN/c1-17(11-13-7-3-2-4-8-13)12-14-9-5-6-10-15(14)16/h2-10H,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,13,14,5,9,12,15,3,10,4,11,16,17,2/E:(3,4)(7,8)/rA:17cCNCCCCCCCCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;s10;s11;d12;s13;d14;d11s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16FN |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.22677 |
Area: | 411.459 |
Solvation: | -2.0597 |
Coulombic: | -12.2088 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 229.293 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.64 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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