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Chemical ID: 4254775
Chemical ID:
4254775
Name [?]:
N-[(2,5-difluorophenyl)methyl]-1-methoxy-propan-2-amine
SMILES [?]:
CC(COC)NCc1cc(ccc1F)F
InChi [?]:
InChI=1/C11H15F2NO/c1-8(7-15-2)14-6-9-5-10(12)3-4-11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,11,12,9,7,3,2,8,10,13,15,14,6,4/rA:15cCCCOCNCCCCCCCFF/rB:s1;s2;s3;s4;s2;s6;s7;s8;d9;s10;d11;d8s12;s13;s10;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15F2NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.33183 |
Area: | 391.228 |
Solvation: | -4.44886 |
Coulombic: | -23.5888 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 215.24 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.13 |
LogP (Chemaxon): | 2.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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