1-benzyl-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride

C17H20ClN — CID 23203044

IUPAC1-benzyl-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCNC1Cc2ccccc2C1Cc1ccccc1.Cl
InChIInChI=1S/C17H19N.ClH/c1-18-17-12-14-9-5-6-10-15(14)16(17)11-13-7-3-2-4-8-13;/h2-10,16-18H,11-12H2,1H3;1H
InChIKeyQMUIZLFQENVGJB-UHFFFAOYSA-N
MW273.81 g/mol
LogP3.58
Rot. Bonds3

About 1-benzyl-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride

1-benzyl-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride (PubChem CID 23203044) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-benzyl-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
PubChem CID23203044
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name1-benzyl-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCNC1Cc2ccccc2C1Cc1ccccc1.Cl
InChIInChI=1S/C17H19N.ClH/c1-18-17-12-14-9-5-6-10-15(14)16(17)11-13-7-3-2-4-8-13;/h2-10,16-18H,11-12H2,1H3;1H
InChIKeyQMUIZLFQENVGJB-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The IUPAC name of 1-benzyl-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride (CID 23203044) is 1-benzyl-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride.
What is the SMILES notation for 1-benzyl-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The canonical SMILES for 1-benzyl-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride is CNC1Cc2ccccc2C1Cc1ccccc1.Cl.
What is the InChIKey of 1-benzyl-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The InChIKey is QMUIZLFQENVGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N.ClH/c1-18-17-12-14-9-5-6-10-15(14)16(17)11-13-7-3-2-4-8-13;/h2-10,16-18H,11-12H2,1H3;1H.
What are the key properties of 1-benzyl-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
1-benzyl-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride has a molecular weight of 273.81 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride is sourced from PubChem (CID 23203044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).