(4S)-8-ethyl-7-iodo-3,4-dihydro-2H-chromen-4-amine

C11H14INO — CID 130609322

IUPAC(4S)-8-ethyl-7-iodo-3,4-dihydro-2H-chromen-4-amine
SMILESCCc1c(I)ccc2c1OCC[C@@H]2N
InChIInChI=1S/C11H14INO/c1-2-7-9(12)4-3-8-10(13)5-6-14-11(7)8/h3-4,10H,2,5-6,13H2,1H3/t10-/m0/s1
InChIKeyFONMMKSQBYGVHW-JTQLQIEISA-N
MW303.14 g/mol
LogP2.64
Rot. Bonds1

About (4S)-8-ethyl-7-iodo-3,4-dihydro-2H-chromen-4-amine

(4S)-8-ethyl-7-iodo-3,4-dihydro-2H-chromen-4-amine (PubChem CID 130609322) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is (4S)-8-ethyl-7-iodo-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-8-ethyl-7-iodo-3,4-dihydro-2H-chromen-4-amine
PubChem CID130609322
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name(4S)-8-ethyl-7-iodo-3,4-dihydro-2H-chromen-4-amine
SMILESCCc1c(I)ccc2c1OCC[C@@H]2N
InChIInChI=1S/C11H14INO/c1-2-7-9(12)4-3-8-10(13)5-6-14-11(7)8/h3-4,10H,2,5-6,13H2,1H3/t10-/m0/s1
InChIKeyFONMMKSQBYGVHW-JTQLQIEISA-N
XLogP2.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-8-ethyl-7-iodo-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-8-ethyl-7-iodo-3,4-dihydro-2H-chromen-4-amine (CID 130609322) is (4S)-8-ethyl-7-iodo-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-8-ethyl-7-iodo-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-8-ethyl-7-iodo-3,4-dihydro-2H-chromen-4-amine is CCc1c(I)ccc2c1OCC[C@@H]2N.
What is the InChIKey of (4S)-8-ethyl-7-iodo-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is FONMMKSQBYGVHW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14INO/c1-2-7-9(12)4-3-8-10(13)5-6-14-11(7)8/h3-4,10H,2,5-6,13H2,1H3/t10-/m0/s1.
What are the key properties of (4S)-8-ethyl-7-iodo-3,4-dihydro-2H-chromen-4-amine?
(4S)-8-ethyl-7-iodo-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 303.14 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-ethyl-7-iodo-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 130609322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).