imino-[1-(2-methoxy-5-methylphenyl)ethyl]-λ3-iodane

C10H14INO — CID 20737116

IUPACimino-[1-(2-methoxy-5-methylphenyl)ethyl]-λ3-iodane
SMILES[H]/N=I/C(C)c1cc(C)ccc1OC
InChIInChI=1S/C10H14INO/c1-7-4-5-10(13-3)9(6-7)8(2)11-12/h4-6,8,12H,1-3H3
InChIKeyRKFSHDSFOHAWOQ-UHFFFAOYSA-N
MW291.13 g/mol
LogP3.80
Rot. Bonds3

About imino-[1-(2-methoxy-5-methylphenyl)ethyl]-λ3-iodane

imino-[1-(2-methoxy-5-methylphenyl)ethyl]-λ3-iodane (PubChem CID 20737116) has the molecular formula C10H14INO and a molecular weight of 291.13 g/mol. Its IUPAC name is imino-[1-(2-methoxy-5-methylphenyl)ethyl]-λ3-iodane.

Molecular Properties

Compound Nameimino-[1-(2-methoxy-5-methylphenyl)ethyl]-λ3-iodane
PubChem CID20737116
Molecular FormulaC10H14INO
Molecular Weight291.13 g/mol
Exact Mass291.01
IUPAC Nameimino-[1-(2-methoxy-5-methylphenyl)ethyl]-λ3-iodane
SMILES[H]/N=I/C(C)c1cc(C)ccc1OC
InChIInChI=1S/C10H14INO/c1-7-4-5-10(13-3)9(6-7)8(2)11-12/h4-6,8,12H,1-3H3
InChIKeyRKFSHDSFOHAWOQ-UHFFFAOYSA-N
XLogP3.80
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
CID 7047666
1-methoxy-2-(1-methoxyethyl)-4-methylbenzene
CID 71396401
2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene
CID 13450101
N-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43204161
2-cyclopropyl-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83155175
S-(2-methoxy-5-methylphenyl)thiohydroxylamine
CID 117033753
2-(disulfanyl)-1-methoxy-4-methylbenzene
CID 117033813
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine
CID 143259929
(2-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 62509628
2-(1-chloro-3-methylbutan-2-yl)-1-methoxy-4-methylbenzene
CID 82081064
1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933048

Frequently Asked Questions

What is the IUPAC name of imino-[1-(2-methoxy-5-methylphenyl)ethyl]-λ3-iodane?
The IUPAC name of imino-[1-(2-methoxy-5-methylphenyl)ethyl]-λ3-iodane (CID 20737116) is imino-[1-(2-methoxy-5-methylphenyl)ethyl]-λ3-iodane.
What is the SMILES notation for imino-[1-(2-methoxy-5-methylphenyl)ethyl]-λ3-iodane?
The canonical SMILES for imino-[1-(2-methoxy-5-methylphenyl)ethyl]-λ3-iodane is [H]/N=I/C(C)c1cc(C)ccc1OC.
What is the InChIKey of imino-[1-(2-methoxy-5-methylphenyl)ethyl]-λ3-iodane?
The InChIKey is RKFSHDSFOHAWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO/c1-7-4-5-10(13-3)9(6-7)8(2)11-12/h4-6,8,12H,1-3H3.
What are the key properties of imino-[1-(2-methoxy-5-methylphenyl)ethyl]-λ3-iodane?
imino-[1-(2-methoxy-5-methylphenyl)ethyl]-λ3-iodane has a molecular weight of 291.13 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[1-(2-methoxy-5-methylphenyl)ethyl]-λ3-iodane is sourced from PubChem (CID 20737116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).