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Chemical ID: 7061798
Chemical ID:
7061798
Name [?]:
N-[3-(4-chlorophenoxy)propyl]-N-methyl-butan-1-amine
SMILES [?]:
CCCCN(C)CCCOc1ccc(cc1)Cl
InChi [?]:
InChI=1/C14H22ClNO/c1-3-4-10-16(2)11-5-12-17-14-8-6-13(15)7-9-14/h6-9H,3-5,10-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,2,3,8,13,15,12,16,4,7,9,14,11,17,5,10/E:(6,7)(8,9)/rA:17cCCCCNCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22ClNO |
All Atoms: | 39 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.98565 |
Area: | 492.948 |
Solvation: | -2.33806 |
Coulombic: | -14.4799 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 255.783 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.12 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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