3-[[3-(2-aminoethoxy)phenoxy]methyl]pentan-3-yl hypoiodite

C14H22INO3 — CID 170001651

IUPAC3-[[3-(2-aminoethoxy)phenoxy]methyl]pentan-3-yl hypoiodite
SMILESCCC(CC)(COc1cccc(OCCN)c1)OI
InChIInChI=1S/C14H22INO3/c1-3-14(4-2,19-15)11-18-13-7-5-6-12(10-13)17-9-8-16/h5-7,10H,3-4,8-9,11,16H2,1-2H3
InChIKeyAIMULQKCQZABCX-UHFFFAOYSA-N
MW379.24 g/mol
LogP3.33
Rot. Bonds9

About 3-[[3-(2-aminoethoxy)phenoxy]methyl]pentan-3-yl hypoiodite

3-[[3-(2-aminoethoxy)phenoxy]methyl]pentan-3-yl hypoiodite (PubChem CID 170001651) has the molecular formula C14H22INO3 and a molecular weight of 379.24 g/mol. Its IUPAC name is 3-[[3-(2-aminoethoxy)phenoxy]methyl]pentan-3-yl hypoiodite.

Molecular Properties

Compound Name3-[[3-(2-aminoethoxy)phenoxy]methyl]pentan-3-yl hypoiodite
PubChem CID170001651
Molecular FormulaC14H22INO3
Molecular Weight379.24 g/mol
Exact Mass379.06
IUPAC Name3-[[3-(2-aminoethoxy)phenoxy]methyl]pentan-3-yl hypoiodite
SMILESCCC(CC)(COc1cccc(OCCN)c1)OI
InChIInChI=1S/C14H22INO3/c1-3-14(4-2,19-15)11-18-13-7-5-6-12(10-13)17-9-8-16/h5-7,10H,3-4,8-9,11,16H2,1-2H3
InChIKeyAIMULQKCQZABCX-UHFFFAOYSA-N
XLogP3.33
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-dimethylbutoxy)-3-[2-[3-(2,2-dimethylbutoxy)phenoxy]ethoxy]benzene
CID 20738671
2-[3-(3-methylbutoxy)phenoxy]ethanamine
CID 25256004
2-[3-(2-aminoethoxy)phenoxy]acetaldehyde
CID 163403817
1-[3-(2-aminoethoxy)phenoxy]propan-2-ol
CID 71018405
tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate
CID 156819756
N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide
CID 28755028
1-[3-(2-aminoethoxy)phenyl]-3,3-dimethylbutan-2-one
CID 59320009
2-ethyl-2-(2-phenoxyethoxy)butan-1-amine
CID 65050959
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
ethane;ethene;2-(3-methylphenoxy)ethanamine;molecular hydrogen
CID 170739298
2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethanamine
CID 58027581
[3-(2-aminoethoxy)phenyl]-(1-methylimidazol-2-yl)methanone
CID 96662606

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-aminoethoxy)phenoxy]methyl]pentan-3-yl hypoiodite?
The IUPAC name of 3-[[3-(2-aminoethoxy)phenoxy]methyl]pentan-3-yl hypoiodite (CID 170001651) is 3-[[3-(2-aminoethoxy)phenoxy]methyl]pentan-3-yl hypoiodite.
What is the SMILES notation for 3-[[3-(2-aminoethoxy)phenoxy]methyl]pentan-3-yl hypoiodite?
The canonical SMILES for 3-[[3-(2-aminoethoxy)phenoxy]methyl]pentan-3-yl hypoiodite is CCC(CC)(COc1cccc(OCCN)c1)OI.
What is the InChIKey of 3-[[3-(2-aminoethoxy)phenoxy]methyl]pentan-3-yl hypoiodite?
The InChIKey is AIMULQKCQZABCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22INO3/c1-3-14(4-2,19-15)11-18-13-7-5-6-12(10-13)17-9-8-16/h5-7,10H,3-4,8-9,11,16H2,1-2H3.
What are the key properties of 3-[[3-(2-aminoethoxy)phenoxy]methyl]pentan-3-yl hypoiodite?
3-[[3-(2-aminoethoxy)phenoxy]methyl]pentan-3-yl hypoiodite has a molecular weight of 379.24 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-aminoethoxy)phenoxy]methyl]pentan-3-yl hypoiodite is sourced from PubChem (CID 170001651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).