2-(1λ3-iodiran-1-yliodanuidylmethyl)-3-methoxyaniline

C10H14I2NO- — CID 163951770

IUPAC2-(1λ3-iodiran-1-yliodanuidylmethyl)-3-methoxyaniline
SMILESCOc1cccc(N)c1C[I-]I1CC1
InChIInChI=1S/C10H14I2NO/c1-14-10-4-2-3-9(13)8(10)7-11-12-5-6-12/h2-4H,5-7,13H2,1H3/q-1
InChIKeyHSXDOFADYKJWLY-UHFFFAOYSA-N
MW418.04 g/mol
LogP-0.70
Rot. Bonds4

About 2-(1λ3-iodiran-1-yliodanuidylmethyl)-3-methoxyaniline

2-(1λ3-iodiran-1-yliodanuidylmethyl)-3-methoxyaniline (PubChem CID 163951770) has the molecular formula C10H14I2NO- and a molecular weight of 418.04 g/mol. Its IUPAC name is 2-(1λ3-iodiran-1-yliodanuidylmethyl)-3-methoxyaniline.

Molecular Properties

Compound Name2-(1λ3-iodiran-1-yliodanuidylmethyl)-3-methoxyaniline
PubChem CID163951770
Molecular FormulaC10H14I2NO-
Molecular Weight418.04 g/mol
Exact Mass417.92
IUPAC Name2-(1λ3-iodiran-1-yliodanuidylmethyl)-3-methoxyaniline
SMILESCOc1cccc(N)c1C[I-]I1CC1
InChIInChI=1S/C10H14I2NO/c1-14-10-4-2-3-9(13)8(10)7-11-12-5-6-12/h2-4H,5-7,13H2,1H3/q-1
InChIKeyHSXDOFADYKJWLY-UHFFFAOYSA-N
XLogP-0.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.04
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1λ3-iodiran-1-yliodanuidylmethyl)-3-methoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-2-propylaniline
CID 70555018
3-methoxy-2-[(2-methoxyphenyl)methyl]aniline
CID 13379479
(2-amino-6-methoxyphenyl)methyl-triphenylphosphanium
CID 10227540
2,6-dimethoxyaniline;ethane
CID 145233133
2-methoxyaniline;dihydrochloride
CID 69020746
methanol;3-methoxybenzene-1,2-diamine
CID 174908169
1,3-dimethoxy-2-(methoxymethyl)benzene
CID 86183606
2-methoxyaniline;titanium;trihydrochloride
CID 174872226
3-methoxy-2-[(E)-prop-1-enyl]aniline
CID 131242530
4-[(2-amino-6-methoxyphenyl)methoxy]-3-methylphenol
CID 129110059
2-(cyclopropylmethyl)-1,3-dimethoxybenzene
CID 123548705
(2-methoxy-6-propoxyphenyl)methanamine
CID 118156685

Frequently Asked Questions

What is the IUPAC name of 2-(1λ3-iodiran-1-yliodanuidylmethyl)-3-methoxyaniline?
The IUPAC name of 2-(1λ3-iodiran-1-yliodanuidylmethyl)-3-methoxyaniline (CID 163951770) is 2-(1λ3-iodiran-1-yliodanuidylmethyl)-3-methoxyaniline.
What is the SMILES notation for 2-(1λ3-iodiran-1-yliodanuidylmethyl)-3-methoxyaniline?
The canonical SMILES for 2-(1λ3-iodiran-1-yliodanuidylmethyl)-3-methoxyaniline is COc1cccc(N)c1C[I-]I1CC1.
What is the InChIKey of 2-(1λ3-iodiran-1-yliodanuidylmethyl)-3-methoxyaniline?
The InChIKey is HSXDOFADYKJWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14I2NO/c1-14-10-4-2-3-9(13)8(10)7-11-12-5-6-12/h2-4H,5-7,13H2,1H3/q-1.
What are the key properties of 2-(1λ3-iodiran-1-yliodanuidylmethyl)-3-methoxyaniline?
2-(1λ3-iodiran-1-yliodanuidylmethyl)-3-methoxyaniline has a molecular weight of 418.04 g/mol, XLogP of -0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1λ3-iodiran-1-yliodanuidylmethyl)-3-methoxyaniline is sourced from PubChem (CID 163951770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).