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Chemical ID: 7107632
Chemical ID:
7107632
Name [?]:
N-[[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methyl]butan-1-amine
SMILES [?]:
CCCCNCc1ccc(c(c1)OC)OCc2ccccc2F
InChi [?]:
InChI=1/C19H24FNO2/c1-3-4-11-21-13-15-9-10-18(19(12-15)22-2)23-14-16-7-5-6-8-17(16)20/h5-10,12,21H,3-4,11,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,2,3,19,20,18,21,8,9,4,12,6,16,7,17,22,10,11,23,5,13,15/rA:23nCCCCNCCCCCCCOCOCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s10;s15;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24FNO2 |
All Atoms: | 47 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.33411 |
Area: | 560.086 |
Solvation: | -4.66803 |
Coulombic: | -30.1508 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 317.398 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.32 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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