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Chemical ID: 5832320
Chemical ID:
5832320
Name [?]:
2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILES [?]:
COCCNCc1ccc(cc1)C(F)(F)F
InChi [?]:
InChI=1/C11H14F3NO/c1-16-7-6-15-8-9-2-4-10(5-3-9)11(12,13)14/h2-5,15H,6-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,12,9,11,4,3,6,7,10,13,14,15,16,5,2/E:(2,3)(4,5)(12,13,14)/rA:16nCOCCNCCCCCCCCFFF/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14F3NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.84416 |
Area: | 407.017 |
Solvation: | -3.33127 |
Coulombic: | -36.3376 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 233.23 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.27 |
LogP (Chemaxon): | 2.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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