4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine

C16H17FN2O — CID 79483751

IUPAC4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc(CNC2CCc3c(F)cccc32)cn1
InChIInChI=1S/C16H17FN2O/c1-20-16-8-5-11(10-19-16)9-18-15-7-6-12-13(15)3-2-4-14(12)17/h2-5,8,10,15,18H,6-7,9H2,1H3
InChIKeyLHECKHRLCNLKCW-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.01
Rot. Bonds4

About 4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine

4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 79483751) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID79483751
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc(CNC2CCc3c(F)cccc32)cn1
InChIInChI=1S/C16H17FN2O/c1-20-16-8-5-11(10-19-16)9-18-15-7-6-12-13(15)3-2-4-14(12)17/h2-5,8,10,15,18H,6-7,9H2,1H3
InChIKeyLHECKHRLCNLKCW-UHFFFAOYSA-N
XLogP3.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 79483751) is 4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine is COc1ccc(CNC2CCc3c(F)cccc32)cn1.
What is the InChIKey of 4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is LHECKHRLCNLKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-20-16-8-5-11(10-19-16)9-18-15-7-6-12-13(15)3-2-4-14(12)17/h2-5,8,10,15,18H,6-7,9H2,1H3.
What are the key properties of 4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 272.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79483751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).