N,N-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-amine;hydrochloride

C17H20ClN — CID 517910

IUPACN,N-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCN(C)C1CC(c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C17H19N.ClH/c1-18(2)17-12-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17;/h3-11,16-17H,12H2,1-2H3;1H
InChIKeyXLFKPSXGNJGVCH-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.25
Rot. Bonds2

About N,N-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-amine;hydrochloride

N,N-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 517910) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N,N-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID517910
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN,N-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCN(C)C1CC(c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C17H19N.ClH/c1-18(2)17-12-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17;/h3-11,16-17H,12H2,1-2H3;1H
InChIKeyXLFKPSXGNJGVCH-UHFFFAOYSA-N
XLogP4.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 517910) is N,N-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is CN(C)C1CC(c2ccccc2)c2ccccc21.Cl.
What is the InChIKey of N,N-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is XLFKPSXGNJGVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N.ClH/c1-18(2)17-12-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17;/h3-11,16-17H,12H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
N,N-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 273.81 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 517910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).