1-(7-chloro-3H-inden-1-yl)ethanamine

C11H12ClN — CID 105447751

IUPAC1-(7-chloro-3H-inden-1-yl)ethanamine
SMILESCC(N)C1=CCc2cccc(Cl)c21
InChIInChI=1S/C11H12ClN/c1-7(13)9-6-5-8-3-2-4-10(12)11(8)9/h2-4,6-7H,5,13H2,1H3
InChIKeyFGFORDYKPOOYCO-UHFFFAOYSA-N
MW193.68 g/mol
LogP2.63
Rot. Bonds1

About 1-(7-chloro-3H-inden-1-yl)ethanamine

1-(7-chloro-3H-inden-1-yl)ethanamine (PubChem CID 105447751) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 1-(7-chloro-3H-inden-1-yl)ethanamine.

Molecular Properties

Compound Name1-(7-chloro-3H-inden-1-yl)ethanamine
PubChem CID105447751
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name1-(7-chloro-3H-inden-1-yl)ethanamine
SMILESCC(N)C1=CCc2cccc(Cl)c21
InChIInChI=1S/C11H12ClN/c1-7(13)9-6-5-8-3-2-4-10(12)11(8)9/h2-4,6-7H,5,13H2,1H3
InChIKeyFGFORDYKPOOYCO-UHFFFAOYSA-N
XLogP2.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-3H-inden-1-yl)ethanamine?
The IUPAC name of 1-(7-chloro-3H-inden-1-yl)ethanamine (CID 105447751) is 1-(7-chloro-3H-inden-1-yl)ethanamine.
What is the SMILES notation for 1-(7-chloro-3H-inden-1-yl)ethanamine?
The canonical SMILES for 1-(7-chloro-3H-inden-1-yl)ethanamine is CC(N)C1=CCc2cccc(Cl)c21.
What is the InChIKey of 1-(7-chloro-3H-inden-1-yl)ethanamine?
The InChIKey is FGFORDYKPOOYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c1-7(13)9-6-5-8-3-2-4-10(12)11(8)9/h2-4,6-7H,5,13H2,1H3.
What are the key properties of 1-(7-chloro-3H-inden-1-yl)ethanamine?
1-(7-chloro-3H-inden-1-yl)ethanamine has a molecular weight of 193.68 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-3H-inden-1-yl)ethanamine is sourced from PubChem (CID 105447751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).