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Chemical ID: 7101616
Chemical ID:
7101616
Name [?]:
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]methyl]methanamine
SMILES [?]:
CNCc1ccc(c(c1)OC)OCc2ccc(cc2)F
InChi [?]:
InChI=1/C16H18FNO2/c1-18-10-13-5-8-15(16(9-13)19-2)20-11-12-3-6-14(17)7-4-12/h3-9,18H,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,15,19,5,16,18,6,9,3,13,14,4,17,7,8,20,2,10,12/E:(3,4)(6,7)/rA:20nCNCCCCCCCOCOCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s7;s12;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18FNO2 |
All Atoms: | 38 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.52508 |
Area: | 484.367 |
Solvation: | -5.58411 |
Coulombic: | -28.1875 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 275.318 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.97 |
LogP (Chemaxon): | 2.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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