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Chemical ID: 7513329
Chemical ID:
7513329
Name [?]:
N-[3-(2-chloro-5-methyl-phenoxy)propyl]-2-methyl-propan-2-amine
SMILES [?]:
Cc1ccc(c(c1)OCCCNC(C)(C)C)Cl
InChi [?]:
InChI=1/C14H22ClNO/c1-11-6-7-12(15)13(10-11)17-9-5-8-16-14(2,3)4/h6-7,10,16H,5,8-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,14,15,16,10,3,4,11,9,7,2,5,6,13,17,12,8/E:(2,3,4)/rA:17nCCCCCCCOCCCNCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s13;s13;s5;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22ClNO |
All Atoms: | 39 |
Heavy Atoms: | 17 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.4946 |
Area: | 474.944 |
Solvation: | -2.379 |
Coulombic: | -17.9573 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.27 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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