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Chemical ID: 3966635
Chemical ID:
3966635
Name [?]:
N-ethyl-1-[3-(trifluoromethyl)phenyl]-propan-2-amine
SMILES [?]:
CCNC(C)Cc1cccc(c1)C(F)(F)F
InChi [?]:
InChI=1/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,9,8,10,6,12,4,7,11,13,14,15,16,3/E:(13,14,15)/rA:16cCCNCCCCCCCCCCFFF/rB:s1;s2;s3;s4;s4;s6;s7;d8;s9;d10;d7s11;s11;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16F3N |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.26777 |
Area: | 394.55 |
Solvation: | -1.59597 |
Coulombic: | -29.4018 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 231.257 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.5 |
LogP (Chemaxon): | 3.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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