(2S)-5-iodo-N-methyl-2,3-dihydro-1H-inden-2-amine

C10H12IN — CID 155205815

IUPAC(2S)-5-iodo-N-methyl-2,3-dihydro-1H-inden-2-amine
SMILESCN[C@H]1Cc2ccc(I)cc2C1
InChIInChI=1S/C10H12IN/c1-12-10-5-7-2-3-9(11)4-8(7)6-10/h2-4,10,12H,5-6H2,1H3/t10-/m0/s1
InChIKeySHFFYRAZFRYCLQ-JTQLQIEISA-N
MW273.12 g/mol
LogP1.98
Rot. Bonds1

About (2S)-5-iodo-N-methyl-2,3-dihydro-1H-inden-2-amine

(2S)-5-iodo-N-methyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 155205815) has the molecular formula C10H12IN and a molecular weight of 273.12 g/mol. Its IUPAC name is (2S)-5-iodo-N-methyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name(2S)-5-iodo-N-methyl-2,3-dihydro-1H-inden-2-amine
PubChem CID155205815
Molecular FormulaC10H12IN
Molecular Weight273.12 g/mol
Exact Mass273.00
IUPAC Name(2S)-5-iodo-N-methyl-2,3-dihydro-1H-inden-2-amine
SMILESCN[C@H]1Cc2ccc(I)cc2C1
InChIInChI=1S/C10H12IN/c1-12-10-5-7-2-3-9(11)4-8(7)6-10/h2-4,10,12H,5-6H2,1H3/t10-/m0/s1
InChIKeySHFFYRAZFRYCLQ-JTQLQIEISA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-iodo-N-methyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of (2S)-5-iodo-N-methyl-2,3-dihydro-1H-inden-2-amine (CID 155205815) is (2S)-5-iodo-N-methyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for (2S)-5-iodo-N-methyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for (2S)-5-iodo-N-methyl-2,3-dihydro-1H-inden-2-amine is CN[C@H]1Cc2ccc(I)cc2C1.
What is the InChIKey of (2S)-5-iodo-N-methyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is SHFFYRAZFRYCLQ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12IN/c1-12-10-5-7-2-3-9(11)4-8(7)6-10/h2-4,10,12H,5-6H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-5-iodo-N-methyl-2,3-dihydro-1H-inden-2-amine?
(2S)-5-iodo-N-methyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 273.12 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-iodo-N-methyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 155205815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).