4,6-dichloro-2,3-dihydro-1H-inden-1-amine;hydrochloride

C9H10Cl3N — CID 71432689

IUPAC4,6-dichloro-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCl.NC1CCc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C9H9Cl2N.ClH/c10-5-3-7-6(8(11)4-5)1-2-9(7)12;/h3-4,9H,1-2,12H2;1H
InChIKeyPXWNKDUIGULGMU-UHFFFAOYSA-N
MW238.54 g/mol
LogP3.36
Rot. Bonds

About 4,6-dichloro-2,3-dihydro-1H-inden-1-amine;hydrochloride

4,6-dichloro-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 71432689) has the molecular formula C9H10Cl3N and a molecular weight of 238.54 g/mol. Its IUPAC name is 4,6-dichloro-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name4,6-dichloro-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID71432689
Molecular FormulaC9H10Cl3N
Molecular Weight238.54 g/mol
Exact Mass236.99
IUPAC Name4,6-dichloro-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCl.NC1CCc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C9H9Cl2N.ClH/c10-5-3-7-6(8(11)4-5)1-2-9(7)12;/h3-4,9H,1-2,12H2;1H
InChIKeyPXWNKDUIGULGMU-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.54
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of 4,6-dichloro-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 71432689) is 4,6-dichloro-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for 4,6-dichloro-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for 4,6-dichloro-2,3-dihydro-1H-inden-1-amine;hydrochloride is Cl.NC1CCc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 4,6-dichloro-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is PXWNKDUIGULGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N.ClH/c10-5-3-7-6(8(11)4-5)1-2-9(7)12;/h3-4,9H,1-2,12H2;1H.
What are the key properties of 4,6-dichloro-2,3-dihydro-1H-inden-1-amine;hydrochloride?
4,6-dichloro-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 238.54 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 71432689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).