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Chemical ID: 7101811
Chemical ID:
7101811
Name [?]:
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
SMILES [?]:
CCCNCc1ccccc1OCc2ccccc2F
InChi [?]:
InChI=1/C17H20FNO/c1-2-11-19-12-14-7-4-6-10-17(14)20-13-15-8-3-5-9-16(15)18/h3-10,19H,2,11-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,8,17,9,7,15,18,10,3,5,13,6,14,19,11,20,4,12/rA:20nCCCNCCCCCCCOCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20FNO |
All Atoms: | 40 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.29679 |
Area: | 488.693 |
Solvation: | -2.92054 |
Coulombic: | -23.3076 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 273.345 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.1 |
LogP (Chemaxon): | 4.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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