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Chemical ID: 7101837
Chemical ID:
7101837
Name [?]:
N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
SMILES [?]:
CCCNCc1cccc(c1)OCc2ccc(cc2)F
InChi [?]:
InChI=1/C17H20FNO/c1-2-10-19-12-15-4-3-5-17(11-15)20-13-14-6-8-16(18)9-7-14/h3-9,11,19H,2,10,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,7,9,15,19,16,18,3,11,5,13,14,6,17,10,20,4,12/E:(6,7)(8,9)/rA:20nCCCNCCCCCCCOCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20FNO |
All Atoms: | 40 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.01142 |
Area: | 500.529 |
Solvation: | -3.50181 |
Coulombic: | -22.5177 |
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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