1-(7-chloro-2,3-dihydro-1H-inden-1-yl)ethanamine

C11H14ClN — CID 105449608

IUPAC1-(7-chloro-2,3-dihydro-1H-inden-1-yl)ethanamine
SMILESCC(N)C1CCc2cccc(Cl)c21
InChIInChI=1S/C11H14ClN/c1-7(13)9-6-5-8-3-2-4-10(12)11(8)9/h2-4,7,9H,5-6,13H2,1H3
InChIKeyZZERAUAWZUZXCH-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.72
Rot. Bonds1

About 1-(7-chloro-2,3-dihydro-1H-inden-1-yl)ethanamine

1-(7-chloro-2,3-dihydro-1H-inden-1-yl)ethanamine (PubChem CID 105449608) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 1-(7-chloro-2,3-dihydro-1H-inden-1-yl)ethanamine.

Molecular Properties

Compound Name1-(7-chloro-2,3-dihydro-1H-inden-1-yl)ethanamine
PubChem CID105449608
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name1-(7-chloro-2,3-dihydro-1H-inden-1-yl)ethanamine
SMILESCC(N)C1CCc2cccc(Cl)c21
InChIInChI=1S/C11H14ClN/c1-7(13)9-6-5-8-3-2-4-10(12)11(8)9/h2-4,7,9H,5-6,13H2,1H3
InChIKeyZZERAUAWZUZXCH-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2,3-dihydro-1H-inden-1-yl)ethanamine?
The IUPAC name of 1-(7-chloro-2,3-dihydro-1H-inden-1-yl)ethanamine (CID 105449608) is 1-(7-chloro-2,3-dihydro-1H-inden-1-yl)ethanamine.
What is the SMILES notation for 1-(7-chloro-2,3-dihydro-1H-inden-1-yl)ethanamine?
The canonical SMILES for 1-(7-chloro-2,3-dihydro-1H-inden-1-yl)ethanamine is CC(N)C1CCc2cccc(Cl)c21.
What is the InChIKey of 1-(7-chloro-2,3-dihydro-1H-inden-1-yl)ethanamine?
The InChIKey is ZZERAUAWZUZXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-7(13)9-6-5-8-3-2-4-10(12)11(8)9/h2-4,7,9H,5-6,13H2,1H3.
What are the key properties of 1-(7-chloro-2,3-dihydro-1H-inden-1-yl)ethanamine?
1-(7-chloro-2,3-dihydro-1H-inden-1-yl)ethanamine has a molecular weight of 195.69 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2,3-dihydro-1H-inden-1-yl)ethanamine is sourced from PubChem (CID 105449608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).