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Chemical ID: 4297575
Chemical ID:
4297575
Name [?]:
N-[3-(3-chlorophenoxy)propyl]-2-methyl-propan-2-amine
SMILES [?]:
CC(C)(C)NCCCOc1cccc(c1)Cl
InChi [?]:
InChI=1/C13H20ClNO/c1-13(2,3)15-8-5-9-16-12-7-4-6-11(14)10-12/h4,6-7,10,15H,5,8-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,7,13,11,6,8,15,14,10,2,16,5,9/E:(1,2,3)/rA:16nCCCCNCCCOCCCCCCCl/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20ClNO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.23149 |
Area: | 456.56 |
Solvation: | -2.1825 |
Coulombic: | -17.7928 |
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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