(1S)-5-chloro-4-iodo-2,3-dihydro-1H-inden-1-amine

C9H9ClIN — CID 130632392

IUPAC(1S)-5-chloro-4-iodo-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1CCc2c1ccc(Cl)c2I
InChIInChI=1S/C9H9ClIN/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h1,3,8H,2,4,12H2/t8-/m0/s1
InChIKeyXNSKFOFNLNKNAW-QMMMGPOBSA-N
MW293.54 g/mol
LogP2.89
Rot. Bonds

About (1S)-5-chloro-4-iodo-2,3-dihydro-1H-inden-1-amine

(1S)-5-chloro-4-iodo-2,3-dihydro-1H-inden-1-amine (PubChem CID 130632392) has the molecular formula C9H9ClIN and a molecular weight of 293.54 g/mol. Its IUPAC name is (1S)-5-chloro-4-iodo-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-5-chloro-4-iodo-2,3-dihydro-1H-inden-1-amine
PubChem CID130632392
Molecular FormulaC9H9ClIN
Molecular Weight293.54 g/mol
Exact Mass292.95
IUPAC Name(1S)-5-chloro-4-iodo-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1CCc2c1ccc(Cl)c2I
InChIInChI=1S/C9H9ClIN/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h1,3,8H,2,4,12H2/t8-/m0/s1
InChIKeyXNSKFOFNLNKNAW-QMMMGPOBSA-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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Related Compounds

(1S)-5-fluoro-4-iodo-2,3-dihydro-1H-inden-1-amine
CID 130871328
(1R)-1-amino-5-chloro-2,3-dihydro-1H-indene-4-carboxylic acid
CID 130647398
2,3-dihydro-1H-indene-1,4-diamine
CID 55293440
4-chloro-5-methoxy-2,3-dihydro-1H-inden-1-amine
CID 55272709
(1R)-1-amino-4-chloro-2,3-dihydro-1H-indene-5-carboxylic acid
CID 130839484
8-chloro-2-(4-chlorophenyl)-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine
CID 19348222
(1R)-1-amino-2,3-dihydro-1H-indene-4-carboxamide
CID 130682508
(1R)-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 134159261
(1S)-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 130612015
(3R)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-3-amine
CID 130721895
(1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 55275436
(1S)-5-chloro-6-iodo-2,3-dihydro-1H-inden-1-amine
CID 130632447

Frequently Asked Questions

What is the IUPAC name of (1S)-5-chloro-4-iodo-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-5-chloro-4-iodo-2,3-dihydro-1H-inden-1-amine (CID 130632392) is (1S)-5-chloro-4-iodo-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-5-chloro-4-iodo-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-5-chloro-4-iodo-2,3-dihydro-1H-inden-1-amine is N[C@H]1CCc2c1ccc(Cl)c2I.
What is the InChIKey of (1S)-5-chloro-4-iodo-2,3-dihydro-1H-inden-1-amine?
The InChIKey is XNSKFOFNLNKNAW-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9ClIN/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h1,3,8H,2,4,12H2/t8-/m0/s1.
What are the key properties of (1S)-5-chloro-4-iodo-2,3-dihydro-1H-inden-1-amine?
(1S)-5-chloro-4-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-4-iodo-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 130632392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).