6-chloro-5-iodo-N-methyl-2,3-dihydro-1H-inden-1-amine

C10H11ClIN — CID 155205670

IUPAC6-chloro-5-iodo-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2cc(I)c(Cl)cc21
InChIInChI=1S/C10H11ClIN/c1-13-10-3-2-6-4-9(12)8(11)5-7(6)10/h4-5,10,13H,2-3H2,1H3
InChIKeyXBUMCLHNUJYZMM-UHFFFAOYSA-N
MW307.56 g/mol
LogP3.15
Rot. Bonds1

About 6-chloro-5-iodo-N-methyl-2,3-dihydro-1H-inden-1-amine

6-chloro-5-iodo-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 155205670) has the molecular formula C10H11ClIN and a molecular weight of 307.56 g/mol. Its IUPAC name is 6-chloro-5-iodo-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-chloro-5-iodo-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID155205670
Molecular FormulaC10H11ClIN
Molecular Weight307.56 g/mol
Exact Mass306.96
IUPAC Name6-chloro-5-iodo-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2cc(I)c(Cl)cc21
InChIInChI=1S/C10H11ClIN/c1-13-10-3-2-6-4-9(12)8(11)5-7(6)10/h4-5,10,13H,2-3H2,1H3
InChIKeyXBUMCLHNUJYZMM-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.56
LogP ≤ 53.15
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

6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 54776023
N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
CID 3058652
5-fluoro-N,6-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 172576256
(1S)-5-chloro-6-iodo-2,3-dihydro-1H-inden-1-amine
CID 130632447
N,N-dimethyl-N'-[3-(methylamino)-2,3-dihydro-1H-inden-5-yl]methanimidamide
CID 59966268
5-fluoro-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 126986909
7-chloro-N,5-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 155205881
5-[(2-chloro-4-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683254
N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine
CID 62735808
4,5-dichloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 61382890
2-chloro-N-methyl-5,6-dihydro-4H-cyclopenta[b]furan-4-amine
CID 83905937
N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627798

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-iodo-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-chloro-5-iodo-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 155205670) is 6-chloro-5-iodo-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-chloro-5-iodo-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-chloro-5-iodo-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1CCc2cc(I)c(Cl)cc21.
What is the InChIKey of 6-chloro-5-iodo-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is XBUMCLHNUJYZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClIN/c1-13-10-3-2-6-4-9(12)8(11)5-7(6)10/h4-5,10,13H,2-3H2,1H3.
What are the key properties of 6-chloro-5-iodo-N-methyl-2,3-dihydro-1H-inden-1-amine?
6-chloro-5-iodo-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 307.56 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-iodo-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 155205670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).