2-(3-iodophenyl)-N-methoxypropan-1-imine

C10H12INO — CID 174658673

IUPAC2-(3-iodophenyl)-N-methoxypropan-1-imine
SMILESCON=CC(C)c1cccc(I)c1
InChIInChI=1S/C10H12INO/c1-8(7-12-13-2)9-4-3-5-10(11)6-9/h3-8H,1-2H3
InChIKeyFYOVJXAXTBWUPS-UHFFFAOYSA-N
MW289.12 g/mol
LogP3.03
Rot. Bonds3

About 2-(3-iodophenyl)-N-methoxypropan-1-imine

2-(3-iodophenyl)-N-methoxypropan-1-imine (PubChem CID 174658673) has the molecular formula C10H12INO and a molecular weight of 289.12 g/mol. Its IUPAC name is 2-(3-iodophenyl)-N-methoxypropan-1-imine.

Molecular Properties

Compound Name2-(3-iodophenyl)-N-methoxypropan-1-imine
PubChem CID174658673
Molecular FormulaC10H12INO
Molecular Weight289.12 g/mol
Exact Mass289.00
IUPAC Name2-(3-iodophenyl)-N-methoxypropan-1-imine
SMILESCON=CC(C)c1cccc(I)c1
InChIInChI=1S/C10H12INO/c1-8(7-12-13-2)9-4-3-5-10(11)6-9/h3-8H,1-2H3
InChIKeyFYOVJXAXTBWUPS-UHFFFAOYSA-N
XLogP3.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3-iodophenyl)-N-methoxypropan-1-imine 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

1-(difluoromethyl)-3-iodobenzene
CID 46311736
1-(3-iodophenyl)-4-methoxy-2-methylbutan-1-ol
CID 115836120
2-(3-iodophenyl)-2-methoxyethanamine
CID 130518588
3-(3-iodophenyl)butan-2-one
CID 72942997
methyl 2-chloro-2-(3-iodophenyl)acetate
CID 126977832
(2,6-dimethoxyphenyl)-(3-iodophenyl)methanamine
CID 105051973
1-(3-iodophenyl)-N,2-dimethylbutan-1-amine
CID 105017535
(3-iodophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625266
(3,4-dimethoxyphenyl)-(3-iodophenyl)methanamine
CID 43124940
azane;1-but-3-en-2-yl-3-methoxybenzene
CID 143849691
methyl 2-anilino-2-(3-iodophenyl)acetate
CID 114283019
(2-bromo-4-methoxyphenyl)-(3-iodophenyl)methanamine
CID 54919573

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenyl)-N-methoxypropan-1-imine?
The IUPAC name of 2-(3-iodophenyl)-N-methoxypropan-1-imine (CID 174658673) is 2-(3-iodophenyl)-N-methoxypropan-1-imine.
What is the SMILES notation for 2-(3-iodophenyl)-N-methoxypropan-1-imine?
The canonical SMILES for 2-(3-iodophenyl)-N-methoxypropan-1-imine is CON=CC(C)c1cccc(I)c1.
What is the InChIKey of 2-(3-iodophenyl)-N-methoxypropan-1-imine?
The InChIKey is FYOVJXAXTBWUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO/c1-8(7-12-13-2)9-4-3-5-10(11)6-9/h3-8H,1-2H3.
What are the key properties of 2-(3-iodophenyl)-N-methoxypropan-1-imine?
2-(3-iodophenyl)-N-methoxypropan-1-imine has a molecular weight of 289.12 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)-N-methoxypropan-1-imine is sourced from PubChem (CID 174658673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).