(2R,3R)-N-(2-iodophenyl)-2-methyloxolan-3-amine

C11H14INO — CID 97358603

IUPAC(2R,3R)-N-(2-iodophenyl)-2-methyloxolan-3-amine
SMILESC[C@H]1OCC[C@H]1Nc1ccccc1I
InChIInChI=1S/C11H14INO/c1-8-10(6-7-14-8)13-11-5-3-2-4-9(11)12/h2-5,8,10,13H,6-7H2,1H3/t8-,10-/m1/s1
InChIKeyMHUCRNNOIOQMLL-PSASIEDQSA-N
MW303.14 g/mol
LogP2.88
Rot. Bonds2

About (2R,3R)-N-(2-iodophenyl)-2-methyloxolan-3-amine

(2R,3R)-N-(2-iodophenyl)-2-methyloxolan-3-amine (PubChem CID 97358603) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is (2R,3R)-N-(2-iodophenyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound Name(2R,3R)-N-(2-iodophenyl)-2-methyloxolan-3-amine
PubChem CID97358603
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name(2R,3R)-N-(2-iodophenyl)-2-methyloxolan-3-amine
SMILESC[C@H]1OCC[C@H]1Nc1ccccc1I
InChIInChI=1S/C11H14INO/c1-8-10(6-7-14-8)13-11-5-3-2-4-9(11)12/h2-5,8,10,13H,6-7H2,1H3/t8-,10-/m1/s1
InChIKeyMHUCRNNOIOQMLL-PSASIEDQSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3R)-N-(2-iodophenyl)-2-methyloxolan-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(2-iodophenyl)-2-methyloxolan-3-amine?
The IUPAC name of (2R,3R)-N-(2-iodophenyl)-2-methyloxolan-3-amine (CID 97358603) is (2R,3R)-N-(2-iodophenyl)-2-methyloxolan-3-amine.
What is the SMILES notation for (2R,3R)-N-(2-iodophenyl)-2-methyloxolan-3-amine?
The canonical SMILES for (2R,3R)-N-(2-iodophenyl)-2-methyloxolan-3-amine is C[C@H]1OCC[C@H]1Nc1ccccc1I.
What is the InChIKey of (2R,3R)-N-(2-iodophenyl)-2-methyloxolan-3-amine?
The InChIKey is MHUCRNNOIOQMLL-PSASIEDQSA-N. The full InChI is InChI=1S/C11H14INO/c1-8-10(6-7-14-8)13-11-5-3-2-4-9(11)12/h2-5,8,10,13H,6-7H2,1H3/t8-,10-/m1/s1.
What are the key properties of (2R,3R)-N-(2-iodophenyl)-2-methyloxolan-3-amine?
(2R,3R)-N-(2-iodophenyl)-2-methyloxolan-3-amine has a molecular weight of 303.14 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(2-iodophenyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 97358603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).