(4R)-8-iodo-6-methyl-3,4-dihydro-2H-chromen-4-amine

C10H12INO — CID 131173128

IUPAC(4R)-8-iodo-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc(I)c2c(c1)[C@H](N)CCO2
InChIInChI=1S/C10H12INO/c1-6-4-7-9(12)2-3-13-10(7)8(11)5-6/h4-5,9H,2-3,12H2,1H3/t9-/m1/s1
InChIKeyUFUWSJMPJPINMO-SECBINFHSA-N
MW289.12 g/mol
LogP2.38
Rot. Bonds

About (4R)-8-iodo-6-methyl-3,4-dihydro-2H-chromen-4-amine

(4R)-8-iodo-6-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 131173128) has the molecular formula C10H12INO and a molecular weight of 289.12 g/mol. Its IUPAC name is (4R)-8-iodo-6-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-8-iodo-6-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID131173128
Molecular FormulaC10H12INO
Molecular Weight289.12 g/mol
Exact Mass289.00
IUPAC Name(4R)-8-iodo-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc(I)c2c(c1)[C@H](N)CCO2
InChIInChI=1S/C10H12INO/c1-6-4-7-9(12)2-3-13-10(7)8(11)5-6/h4-5,9H,2-3,12H2,1H3/t9-/m1/s1
InChIKeyUFUWSJMPJPINMO-SECBINFHSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-8-iodo-6-methyl-3,4-dihydro-2H-chromen-4-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 (4R)-8-iodo-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-8-iodo-6-methyl-3,4-dihydro-2H-chromen-4-amine (CID 131173128) is (4R)-8-iodo-6-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-8-iodo-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-8-iodo-6-methyl-3,4-dihydro-2H-chromen-4-amine is Cc1cc(I)c2c(c1)[C@H](N)CCO2.
What is the InChIKey of (4R)-8-iodo-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is UFUWSJMPJPINMO-SECBINFHSA-N. The full InChI is InChI=1S/C10H12INO/c1-6-4-7-9(12)2-3-13-10(7)8(11)5-6/h4-5,9H,2-3,12H2,1H3/t9-/m1/s1.
What are the key properties of (4R)-8-iodo-6-methyl-3,4-dihydro-2H-chromen-4-amine?
(4R)-8-iodo-6-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 289.12 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-iodo-6-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 131173128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).