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Chemical ID: 4683450
Chemical ID:
4683450
Name [?]:
N-[1-(4-fluorophenyl)-2-phenyl-ethyl]butan-1-amine
SMILES [?]:
CCCCNC(Cc1ccccc1)c2ccc(cc2)F
InChi [?]:
InChI=1/C18H22FN/c1-2-3-13-20-18(14-15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12,18,20H,2-3,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,11,10,12,9,13,15,19,16,18,4,7,8,14,17,6,20,5/E:(5,6)(7,8)(9,10)(11,12)/rA:20cCCCCNCCCCCCCCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s6;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22FN |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.2696 |
Area: | 495.471 |
Solvation: | -2.11714 |
Coulombic: | -16.4723 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 271.372 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.02 |
LogP (Chemaxon): | 5.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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