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Chemical ID: 6461311
Chemical ID:
6461311
Name [?]:
2-[(2-ethoxyphenyl)methylamino]-2-methyl-propan-1-ol
SMILES [?]:
CCOc1ccccc1CNC(C)(C)CO
InChi [?]:
InChI=1/C13H21NO2/c1-4-16-12-8-6-5-7-11(12)9-14-13(2,3)10-15/h5-8,14-15H,4,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,14,2,7,6,8,5,10,15,9,4,12,11,16,3/E:(2,3)/rA:16nCCOCCCCCCCNCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s12;s12;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.61518 |
Area: | 422.779 |
Solvation: | -2.95428 |
Coulombic: | -34.5658 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 223.311 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.04 |
LogP (Chemaxon): | 1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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