5-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-2,3-dihydro-1H-inden-4-amine

C16H16F2N2O — CID 146385869

IUPAC5-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-2,3-dihydro-1H-inden-4-amine
SMILESCc1cc2c(c(N)c1-c1ccnc(OC(F)F)c1)CCC2
InChIInChI=1S/C16H16F2N2O/c1-9-7-10-3-2-4-12(10)15(19)14(9)11-5-6-20-13(8-11)21-16(17)18/h5-8,16H,2-4,19H2,1H3
InChIKeyXWWCJLSTRSFDIB-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.73
Rot. Bonds3

About 5-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-2,3-dihydro-1H-inden-4-amine

5-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-2,3-dihydro-1H-inden-4-amine (PubChem CID 146385869) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 5-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound Name5-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-2,3-dihydro-1H-inden-4-amine
PubChem CID146385869
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name5-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-2,3-dihydro-1H-inden-4-amine
SMILESCc1cc2c(c(N)c1-c1ccnc(OC(F)F)c1)CCC2
InChIInChI=1S/C16H16F2N2O/c1-9-7-10-3-2-4-12(10)15(19)14(9)11-5-6-20-13(8-11)21-16(17)18/h5-8,16H,2-4,19H2,1H3
InChIKeyXWWCJLSTRSFDIB-UHFFFAOYSA-N
XLogP3.73
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of 5-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-2,3-dihydro-1H-inden-4-amine (CID 146385869) is 5-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for 5-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for 5-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-2,3-dihydro-1H-inden-4-amine is Cc1cc2c(c(N)c1-c1ccnc(OC(F)F)c1)CCC2.
What is the InChIKey of 5-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-2,3-dihydro-1H-inden-4-amine?
The InChIKey is XWWCJLSTRSFDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-9-7-10-3-2-4-12(10)15(19)14(9)11-5-6-20-13(8-11)21-16(17)18/h5-8,16H,2-4,19H2,1H3.
What are the key properties of 5-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-2,3-dihydro-1H-inden-4-amine?
5-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-2,3-dihydro-1H-inden-4-amine has a molecular weight of 290.31 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethoxy)-4-pyridinyl]-6-methyl-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 146385869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).