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

C18H18F3N — CID 134794697

IUPACN-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCN(Cc1ccccc1C(F)(F)F)C1CCc2ccccc21
InChIInChI=1S/C18H18F3N/c1-22(17-11-10-13-6-2-4-8-15(13)17)12-14-7-3-5-9-16(14)18(19,20)21/h2-9,17H,10-12H2,1H3
InChIKeyVWPRZALQABIEFO-UHFFFAOYSA-N
MW305.34 g/mol
LogP4.82
Rot. Bonds3

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

N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 134794697) has the molecular formula C18H18F3N and a molecular weight of 305.34 g/mol. Its IUPAC name is N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID134794697
Molecular FormulaC18H18F3N
Molecular Weight305.34 g/mol
Exact Mass305.14
IUPAC NameN-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCN(Cc1ccccc1C(F)(F)F)C1CCc2ccccc21
InChIInChI=1S/C18H18F3N/c1-22(17-11-10-13-6-2-4-8-15(13)17)12-14-7-3-5-9-16(14)18(19,20)21/h2-9,17H,10-12H2,1H3
InChIKeyVWPRZALQABIEFO-UHFFFAOYSA-N
XLogP4.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine (CID 134794697) is N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine is CN(Cc1ccccc1C(F)(F)F)C1CCc2ccccc21.
What is the InChIKey of N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is VWPRZALQABIEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N/c1-22(17-11-10-13-6-2-4-8-15(13)17)12-14-7-3-5-9-16(14)18(19,20)21/h2-9,17H,10-12H2,1H3.
What are the key properties of N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine?
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 305.34 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 134794697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).