Chemical ID: 4236946

CCC(C)NCCCOc1ccc(cc1)I
Chemical ID:
4236946
Name [?]:
N-[3-(4-iodophenoxy)propyl]butan-2-amine
SMILES [?]:
CCC(C)NCCCOc1ccc(cc1)I
InChi [?]:
InChI=1/C13H20INO/c1-3-11(2)15-9-4-10-16-13-7-5-12(14)6-8-13/h5-8,11,15H,3-4,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,7,12,14,11,15,6,8,3,13,10,16,5,9/E:(5,6)(7,8)/rA:16cCCCCNCCCOCCCCCCI/rB:s1;s2;s3;s3;s5;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:1
ZAP Information [?]
Total:9.74646
Area:477.056
Solvation:-2.17992
Coulombic:-17.7353
Bond Count [?]
All:16
Single:13
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:333.208
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.22
LogP (Chemaxon):3.68

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Descriptor Annotations

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