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Chemical ID: 4285972
Chemical ID:
4285972
Name [?]:
5-(2-chlorophenoxy)-N,N-diethyl-pentan-1-amine
SMILES [?]:
CCN(CC)CCCCCOc1ccccc1Cl
InChi [?]:
InChI=1/C15H24ClNO/c1-3-17(4-2)12-8-5-9-13-18-15-11-7-6-10-14(15)16/h6-7,10-11H,3-5,8-9,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,8,15,14,7,9,16,13,6,10,17,12,18,3,11/E:(1,2)(3,4)/rA:18nCCNCCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24ClNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4217 |
Area: | 514.298 |
Solvation: | -2.4358 |
Coulombic: | -14.9769 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 269.81 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.33 |
LogP (Chemaxon): | 3.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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