5-methyl-2,3-dihydro-1H-inden-1-amine;5-methyl-2,3-dihydroinden-1-one;hydrochloride

C20H24ClNO — CID 67762900

IUPAC5-methyl-2,3-dihydro-1H-inden-1-amine;5-methyl-2,3-dihydroinden-1-one;hydrochloride
SMILESCc1ccc2c(c1)CCC2=O.Cc1ccc2c(c1)CCC2N.Cl
InChIInChI=1S/C10H13N.C10H10O.ClH/c2*1-7-2-4-9-8(6-7)3-5-10(9)11;/h2,4,6,10H,3,5,11H2,1H3;2,4,6H,3,5H2,1H3;1H
InChIKeyBMYWZBYJYFWVNN-UHFFFAOYSA-N
MW329.87 g/mol
LogP4.49
Rot. Bonds

About 5-methyl-2,3-dihydro-1H-inden-1-amine;5-methyl-2,3-dihydroinden-1-one;hydrochloride

5-methyl-2,3-dihydro-1H-inden-1-amine;5-methyl-2,3-dihydroinden-1-one;hydrochloride (PubChem CID 67762900) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 5-methyl-2,3-dihydro-1H-inden-1-amine;5-methyl-2,3-dihydroinden-1-one;hydrochloride.

Molecular Properties

Compound Name5-methyl-2,3-dihydro-1H-inden-1-amine;5-methyl-2,3-dihydroinden-1-one;hydrochloride
PubChem CID67762900
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name5-methyl-2,3-dihydro-1H-inden-1-amine;5-methyl-2,3-dihydroinden-1-one;hydrochloride
SMILESCc1ccc2c(c1)CCC2=O.Cc1ccc2c(c1)CCC2N.Cl
InChIInChI=1S/C10H13N.C10H10O.ClH/c2*1-7-2-4-9-8(6-7)3-5-10(9)11;/h2,4,6,10H,3,5,11H2,1H3;2,4,6H,3,5H2,1H3;1H
InChIKeyBMYWZBYJYFWVNN-UHFFFAOYSA-N
XLogP4.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydro-1H-inden-1-amine;5-methyl-2,3-dihydroinden-1-one;hydrochloride?
The IUPAC name of 5-methyl-2,3-dihydro-1H-inden-1-amine;5-methyl-2,3-dihydroinden-1-one;hydrochloride (CID 67762900) is 5-methyl-2,3-dihydro-1H-inden-1-amine;5-methyl-2,3-dihydroinden-1-one;hydrochloride.
What is the SMILES notation for 5-methyl-2,3-dihydro-1H-inden-1-amine;5-methyl-2,3-dihydroinden-1-one;hydrochloride?
The canonical SMILES for 5-methyl-2,3-dihydro-1H-inden-1-amine;5-methyl-2,3-dihydroinden-1-one;hydrochloride is Cc1ccc2c(c1)CCC2=O.Cc1ccc2c(c1)CCC2N.Cl.
What is the InChIKey of 5-methyl-2,3-dihydro-1H-inden-1-amine;5-methyl-2,3-dihydroinden-1-one;hydrochloride?
The InChIKey is BMYWZBYJYFWVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C10H10O.ClH/c2*1-7-2-4-9-8(6-7)3-5-10(9)11;/h2,4,6,10H,3,5,11H2,1H3;2,4,6H,3,5H2,1H3;1H.
What are the key properties of 5-methyl-2,3-dihydro-1H-inden-1-amine;5-methyl-2,3-dihydroinden-1-one;hydrochloride?
5-methyl-2,3-dihydro-1H-inden-1-amine;5-methyl-2,3-dihydroinden-1-one;hydrochloride has a molecular weight of 329.87 g/mol, XLogP of 4.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydro-1H-inden-1-amine;5-methyl-2,3-dihydroinden-1-one;hydrochloride is sourced from PubChem (CID 67762900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).