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Chemical ID: 4296243
Chemical ID:
4296243
Name [?]:
N-[3-(2-chlorophenoxy)propyl]-2-methyl-propan-2-amine
SMILES [?]:
CC(C)(C)NCCCOc1ccccc1Cl
InChi [?]:
InChI=1/C13H20ClNO/c1-13(2,3)15-9-6-10-16-12-8-5-4-7-11(12)14/h4-5,7-8,15H,6,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,13,12,7,14,11,6,8,15,10,2,16,5,9/E:(1,2,3)/rA:16nCCCCNCCCOCCCCCCCl/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20ClNO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.9583 |
Area: | 452.287 |
Solvation: | -2.34887 |
Coulombic: | -18.1447 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 241.757 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.83 |
LogP (Chemaxon): | 2.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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