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Chemical ID: 7061777
Chemical ID:
7061777
Name [?]:
N-[3-(4-chlorophenoxy)propyl]-N-isobutyl-2-methyl-propan-1-amine
SMILES [?]:
CC(C)CN(CCCOc1ccc(cc1)Cl)CC(C)C
InChi [?]:
InChI=1/C17H28ClNO/c1-14(2)12-19(13-15(3)4)10-5-11-20-17-8-6-16(18)7-9-17/h6-9,14-15H,5,10-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,19,20,7,12,14,11,15,6,8,4,17,2,18,13,10,16,5,9/E:(1,2,3,4)(6,7)(8,9)(12,13)(14,15)/rA:20nCCCCNCCCOCCCCCCClCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s5;s17;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H28ClNO |
All Atoms: | 48 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3995 |
Area: | 544.641 |
Solvation: | -2.21649 |
Coulombic: | -15.2676 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 297.863 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.93 |
LogP (Chemaxon): | 4.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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