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Chemical ID: 4503423
Chemical ID:
4503423
Name [?]:
1-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]methanamine
SMILES [?]:
CCOc1ccc(cc1)CNCc2ccc(cc2)F
InChi [?]:
InChI=1/C16H18FNO/c1-2-19-16-9-5-14(6-10-16)12-18-11-13-3-7-15(17)8-4-13/h3-10,18H,2,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,18,6,8,15,17,5,9,12,10,13,7,16,4,19,11,3/E:(3,4)(5,6)(7,8)(9,10)/rA:19nCCOCCCCCCCNCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18FNO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.2648 |
Area: | 474.4 |
Solvation: | -3.5952 |
Coulombic: | -21.8243 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 259.319 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.74 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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