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

C17H17F2N — CID 115526029

IUPACN-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine
SMILESFC(F)c1cccc(CNC2CCc3ccccc32)c1
InChIInChI=1S/C17H17F2N/c18-17(19)14-6-3-4-12(10-14)11-20-16-9-8-13-5-1-2-7-15(13)16/h1-7,10,16-17,20H,8-9,11H2
InChIKeyILISTGGILDHZSO-UHFFFAOYSA-N
MW273.33 g/mol
LogP4.40
Rot. Bonds4

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

N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 115526029) has the molecular formula C17H17F2N and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID115526029
Molecular FormulaC17H17F2N
Molecular Weight273.33 g/mol
Exact Mass273.13
IUPAC NameN-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine
SMILESFC(F)c1cccc(CNC2CCc3ccccc32)c1
InChIInChI=1S/C17H17F2N/c18-17(19)14-6-3-4-12(10-14)11-20-16-9-8-13-5-1-2-7-15(13)16/h1-7,10,16-17,20H,8-9,11H2
InChIKeyILISTGGILDHZSO-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine (CID 115526029) is N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine is FC(F)c1cccc(CNC2CCc3ccccc32)c1.
What is the InChIKey of N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ILISTGGILDHZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N/c18-17(19)14-6-3-4-12(10-14)11-20-16-9-8-13-5-1-2-7-15(13)16/h1-7,10,16-17,20H,8-9,11H2.
What are the key properties of N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine?
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 273.33 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115526029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).