4-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-amine

C15H15BrN2O — CID 104796302

IUPAC4-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2c(OCc3cncc(Br)c3)cccc21
InChIInChI=1S/C15H15BrN2O/c16-11-6-10(7-18-8-11)9-19-15-3-1-2-12-13(15)4-5-14(12)17/h1-3,6-8,14H,4-5,9,17H2
InChIKeyLRLZYPGVTGRBKH-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.37
Rot. Bonds3

About 4-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-amine

4-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-amine (PubChem CID 104796302) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 4-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-amine
PubChem CID104796302
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name4-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2c(OCc3cncc(Br)c3)cccc21
InChIInChI=1S/C15H15BrN2O/c16-11-6-10(7-18-8-11)9-19-15-3-1-2-12-13(15)4-5-14(12)17/h1-3,6-8,14H,4-5,9,17H2
InChIKeyLRLZYPGVTGRBKH-UHFFFAOYSA-N
XLogP3.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-amine (CID 104796302) is 4-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-amine is NC1CCc2c(OCc3cncc(Br)c3)cccc21.
What is the InChIKey of 4-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is LRLZYPGVTGRBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c16-11-6-10(7-18-8-11)9-19-15-3-1-2-12-13(15)4-5-14(12)17/h1-3,6-8,14H,4-5,9,17H2.
What are the key properties of 4-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-amine?
4-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 319.20 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 104796302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).