(1S)-5-chloro-6-iodo-2,3-dihydro-1H-inden-1-amine

C9H9ClIN — CID 130632447

IUPAC(1S)-5-chloro-6-iodo-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1CCc2cc(Cl)c(I)cc21
InChIInChI=1S/C9H9ClIN/c10-7-3-5-1-2-9(12)6(5)4-8(7)11/h3-4,9H,1-2,12H2/t9-/m0/s1
InChIKeyUGNNXKGBHQTOQW-VIFPVBQESA-N
MW293.54 g/mol
LogP2.89
Rot. Bonds

About (1S)-5-chloro-6-iodo-2,3-dihydro-1H-inden-1-amine

(1S)-5-chloro-6-iodo-2,3-dihydro-1H-inden-1-amine (PubChem CID 130632447) has the molecular formula C9H9ClIN and a molecular weight of 293.54 g/mol. Its IUPAC name is (1S)-5-chloro-6-iodo-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-5-chloro-6-iodo-2,3-dihydro-1H-inden-1-amine
PubChem CID130632447
Molecular FormulaC9H9ClIN
Molecular Weight293.54 g/mol
Exact Mass292.95
IUPAC Name(1S)-5-chloro-6-iodo-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1CCc2cc(Cl)c(I)cc21
InChIInChI=1S/C9H9ClIN/c10-7-3-5-1-2-9(12)6(5)4-8(7)11/h3-4,9H,1-2,12H2/t9-/m0/s1
InChIKeyUGNNXKGBHQTOQW-VIFPVBQESA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.54
LogP ≤ 52.89
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 (1S)-5-chloro-6-iodo-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-5-chloro-6-iodo-2,3-dihydro-1H-inden-1-amine (CID 130632447) is (1S)-5-chloro-6-iodo-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-5-chloro-6-iodo-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-5-chloro-6-iodo-2,3-dihydro-1H-inden-1-amine is N[C@H]1CCc2cc(Cl)c(I)cc21.
What is the InChIKey of (1S)-5-chloro-6-iodo-2,3-dihydro-1H-inden-1-amine?
The InChIKey is UGNNXKGBHQTOQW-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9ClIN/c10-7-3-5-1-2-9(12)6(5)4-8(7)11/h3-4,9H,1-2,12H2/t9-/m0/s1.
What are the key properties of (1S)-5-chloro-6-iodo-2,3-dihydro-1H-inden-1-amine?
(1S)-5-chloro-6-iodo-2,3-dihydro-1H-inden-1-amine has a molecular weight of 293.54 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-chloro-6-iodo-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 130632447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).