Chemical ID: 4176741

CCN(CC)CCCOc1ccc(cc1)I
Chemical ID:
4176741
Name [?]:
N,N-diethyl-3-(4-iodophenoxy)-propan-1-amine
SMILES [?]:
CCN(CC)CCCOc1ccc(cc1)I
InChi [?]:
InChI=1/C13H20INO/c1-3-15(4-2)10-5-11-16-13-8-6-12(14)7-9-13/h6-9H,3-5,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,7,12,14,11,15,6,8,13,10,16,3,9/E:(1,2)(3,4)(6,7)(8,9)/rA:16nCCNCCCCCOCCCCCCI/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20INO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.67976
Area:476.863
Solvation:-2.24181
Coulombic:-13.6463
Bond Count [?]
All:16
Single:13
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:333.208
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.06
LogP (Chemaxon):3.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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