N-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride

C17H17ClF3N — CID 45260232

IUPACN-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCNC1CC(c2ccc(C(F)(F)F)cc2)c2ccccc21.Cl
InChIInChI=1S/C17H16F3N.ClH/c1-21-16-10-15(13-4-2-3-5-14(13)16)11-6-8-12(9-7-11)17(18,19)20;/h2-9,15-16,21H,10H2,1H3;1H
InChIKeyOZNMRISTTDITKO-UHFFFAOYSA-N
MW327.78 g/mol
LogP4.92
Rot. Bonds2

About N-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride

N-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 45260232) has the molecular formula C17H17ClF3N and a molecular weight of 327.78 g/mol. Its IUPAC name is N-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID45260232
Molecular FormulaC17H17ClF3N
Molecular Weight327.78 g/mol
Exact Mass327.10
IUPAC NameN-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCNC1CC(c2ccc(C(F)(F)F)cc2)c2ccccc21.Cl
InChIInChI=1S/C17H16F3N.ClH/c1-21-16-10-15(13-4-2-3-5-14(13)16)11-6-8-12(9-7-11)17(18,19)20;/h2-9,15-16,21H,10H2,1H3;1H
InChIKeyOZNMRISTTDITKO-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of N-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 45260232) is N-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for N-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride is CNC1CC(c2ccc(C(F)(F)F)cc2)c2ccccc21.Cl.
What is the InChIKey of N-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is OZNMRISTTDITKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N.ClH/c1-21-16-10-15(13-4-2-3-5-14(13)16)11-6-8-12(9-7-11)17(18,19)20;/h2-9,15-16,21H,10H2,1H3;1H.
What are the key properties of N-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride?
N-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 327.78 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 45260232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).