5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine

C15H20BrNO2 — CID 104705814

IUPAC5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOC1(CNC2CCc3cc(Br)ccc32)CCOC1
InChIInChI=1S/C15H20BrNO2/c1-18-15(6-7-19-10-15)9-17-14-5-2-11-8-12(16)3-4-13(11)14/h3-4,8,14,17H,2,5-7,9-10H2,1H3
InChIKeyIOPKUXWOLRYQEM-UHFFFAOYSA-N
MW326.23 g/mol
LogP2.83
Rot. Bonds4

About 5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine

5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 104705814) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID104705814
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOC1(CNC2CCc3cc(Br)ccc32)CCOC1
InChIInChI=1S/C15H20BrNO2/c1-18-15(6-7-19-10-15)9-17-14-5-2-11-8-12(16)3-4-13(11)14/h3-4,8,14,17H,2,5-7,9-10H2,1H3
InChIKeyIOPKUXWOLRYQEM-UHFFFAOYSA-N
XLogP2.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 104705814) is 5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine is COC1(CNC2CCc3cc(Br)ccc32)CCOC1.
What is the InChIKey of 5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is IOPKUXWOLRYQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-18-15(6-7-19-10-15)9-17-14-5-2-11-8-12(16)3-4-13(11)14/h3-4,8,14,17H,2,5-7,9-10H2,1H3.
What are the key properties of 5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 326.23 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 104705814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).