4,5-dichloro-N-methyl-2,3-dihydro-1H-inden-1-amine

C10H11Cl2N — CID 61382890

IUPAC4,5-dichloro-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2c1ccc(Cl)c2Cl
InChIInChI=1S/C10H11Cl2N/c1-13-9-5-3-7-6(9)2-4-8(11)10(7)12/h2,4,9,13H,3,5H2,1H3
InChIKeyXZVSHWUFQQLOOL-UHFFFAOYSA-N
MW216.11 g/mol
LogP3.20
Rot. Bonds1

About 4,5-dichloro-N-methyl-2,3-dihydro-1H-inden-1-amine

4,5-dichloro-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 61382890) has the molecular formula C10H11Cl2N and a molecular weight of 216.11 g/mol. Its IUPAC name is 4,5-dichloro-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4,5-dichloro-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID61382890
Molecular FormulaC10H11Cl2N
Molecular Weight216.11 g/mol
Exact Mass215.03
IUPAC Name4,5-dichloro-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2c1ccc(Cl)c2Cl
InChIInChI=1S/C10H11Cl2N/c1-13-9-5-3-7-6(9)2-4-8(11)10(7)12/h2,4,9,13H,3,5H2,1H3
InChIKeyXZVSHWUFQQLOOL-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4,5-dichloro-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 61382890) is 4,5-dichloro-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4,5-dichloro-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4,5-dichloro-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1CCc2c1ccc(Cl)c2Cl.
What is the InChIKey of 4,5-dichloro-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is XZVSHWUFQQLOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N/c1-13-9-5-3-7-6(9)2-4-8(11)10(7)12/h2,4,9,13H,3,5H2,1H3.
What are the key properties of 4,5-dichloro-N-methyl-2,3-dihydro-1H-inden-1-amine?
4,5-dichloro-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 216.11 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 61382890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).