(1S)-5-chloro-2,3-dihydro-1H-inden-1-amine;hydrochloride

C9H11Cl2N — CID 122198511

IUPAC(1S)-5-chloro-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCl.N[C@H]1CCc2cc(Cl)ccc21
InChIInChI=1S/C9H10ClN.ClH/c10-7-2-3-8-6(5-7)1-4-9(8)11;/h2-3,5,9H,1,4,11H2;1H/t9-;/m0./s1
InChIKeyJRYBHXVWIQBARN-FVGYRXGTSA-N
MW204.10 g/mol
LogP2.71
Rot. Bonds

About (1S)-5-chloro-2,3-dihydro-1H-inden-1-amine;hydrochloride

(1S)-5-chloro-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 122198511) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is (1S)-5-chloro-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-5-chloro-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID122198511
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name(1S)-5-chloro-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCl.N[C@H]1CCc2cc(Cl)ccc21
InChIInChI=1S/C9H10ClN.ClH/c10-7-2-3-8-6(5-7)1-4-9(8)11;/h2-3,5,9H,1,4,11H2;1H/t9-;/m0./s1
InChIKeyJRYBHXVWIQBARN-FVGYRXGTSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-5-chloro-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of (1S)-5-chloro-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 122198511) is (1S)-5-chloro-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for (1S)-5-chloro-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for (1S)-5-chloro-2,3-dihydro-1H-inden-1-amine;hydrochloride is Cl.N[C@H]1CCc2cc(Cl)ccc21.
What is the InChIKey of (1S)-5-chloro-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is JRYBHXVWIQBARN-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H10ClN.ClH/c10-7-2-3-8-6(5-7)1-4-9(8)11;/h2-3,5,9H,1,4,11H2;1H/t9-;/m0./s1.
What are the key properties of (1S)-5-chloro-2,3-dihydro-1H-inden-1-amine;hydrochloride?
(1S)-5-chloro-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 204.10 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-chloro-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 122198511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).