1-iodo-1-[3-(methoxymethoxy)phenyl]-2-(methylamino)ethanol

C11H16INO3 — CID 69220255

IUPAC1-iodo-1-[3-(methoxymethoxy)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)(I)c1cccc(OCOC)c1
InChIInChI=1S/C11H16INO3/c1-13-7-11(12,14)9-4-3-5-10(6-9)16-8-15-2/h3-6,13-14H,7-8H2,1-2H3
InChIKeyJHDRJQOTUPNXLQ-UHFFFAOYSA-N
MW337.16 g/mol
LogP1.47
Rot. Bonds6

About 1-iodo-1-[3-(methoxymethoxy)phenyl]-2-(methylamino)ethanol

1-iodo-1-[3-(methoxymethoxy)phenyl]-2-(methylamino)ethanol (PubChem CID 69220255) has the molecular formula C11H16INO3 and a molecular weight of 337.16 g/mol. Its IUPAC name is 1-iodo-1-[3-(methoxymethoxy)phenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-iodo-1-[3-(methoxymethoxy)phenyl]-2-(methylamino)ethanol
PubChem CID69220255
Molecular FormulaC11H16INO3
Molecular Weight337.16 g/mol
Exact Mass337.02
IUPAC Name1-iodo-1-[3-(methoxymethoxy)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)(I)c1cccc(OCOC)c1
InChIInChI=1S/C11H16INO3/c1-13-7-11(12,14)9-4-3-5-10(6-9)16-8-15-2/h3-6,13-14H,7-8H2,1-2H3
InChIKeyJHDRJQOTUPNXLQ-UHFFFAOYSA-N
XLogP1.47
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996
3-(3-iodophenoxy)-N,2,2-trimethylpropan-1-amine
CID 79626895
[3-(methoxymethoxy)phenyl]boronic acid
CID 22606941
3-tert-butyl-N-[2-[3-(2-methoxyethoxy)phenyl]-2-methylpropyl]aniline
CID 167076442
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene
CID 141126419
2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339661
3-hydroxy-3-[4-(methoxymethoxy)phenyl]-3-phenylpropanoic acid
CID 18473837
2-hydroxy-1-[3-(methoxymethoxy)phenyl]ethanone
CID 140768864
2,2-dideuterio-1-[3-(methoxymethoxy)phenyl]-2-(trideuteriomethylamino)ethanol
CID 59348055
[2-(3-methoxyphenyl)-2-methylpropyl]carbamothioic S-acid
CID 115170588
1-tert-butyl-3-(5-methoxypentoxy)benzene
CID 71001678

Frequently Asked Questions

What is the IUPAC name of 1-iodo-1-[3-(methoxymethoxy)phenyl]-2-(methylamino)ethanol?
The IUPAC name of 1-iodo-1-[3-(methoxymethoxy)phenyl]-2-(methylamino)ethanol (CID 69220255) is 1-iodo-1-[3-(methoxymethoxy)phenyl]-2-(methylamino)ethanol.
What is the SMILES notation for 1-iodo-1-[3-(methoxymethoxy)phenyl]-2-(methylamino)ethanol?
The canonical SMILES for 1-iodo-1-[3-(methoxymethoxy)phenyl]-2-(methylamino)ethanol is CNCC(O)(I)c1cccc(OCOC)c1.
What is the InChIKey of 1-iodo-1-[3-(methoxymethoxy)phenyl]-2-(methylamino)ethanol?
The InChIKey is JHDRJQOTUPNXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO3/c1-13-7-11(12,14)9-4-3-5-10(6-9)16-8-15-2/h3-6,13-14H,7-8H2,1-2H3.
What are the key properties of 1-iodo-1-[3-(methoxymethoxy)phenyl]-2-(methylamino)ethanol?
1-iodo-1-[3-(methoxymethoxy)phenyl]-2-(methylamino)ethanol has a molecular weight of 337.16 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-1-[3-(methoxymethoxy)phenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 69220255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).