6-bromo-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

C15H16BrNO2 — CID 47624108

IUPAC6-bromo-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(CNC2CCOc3ccc(Br)cc32)o1
InChIInChI=1S/C15H16BrNO2/c1-10-2-4-12(19-10)9-17-14-6-7-18-15-5-3-11(16)8-13(14)15/h2-5,8,14,17H,6-7,9H2,1H3
InChIKeySUCQMNZHFVKJEN-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.96
Rot. Bonds3

About 6-bromo-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

6-bromo-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 47624108) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 6-bromo-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID47624108
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name6-bromo-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(CNC2CCOc3ccc(Br)cc32)o1
InChIInChI=1S/C15H16BrNO2/c1-10-2-4-12(19-10)9-17-14-6-7-18-15-5-3-11(16)8-13(14)15/h2-5,8,14,17H,6-7,9H2,1H3
InChIKeySUCQMNZHFVKJEN-UHFFFAOYSA-N
XLogP3.96
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 47624108) is 6-bromo-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is Cc1ccc(CNC2CCOc3ccc(Br)cc32)o1.
What is the InChIKey of 6-bromo-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is SUCQMNZHFVKJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10-2-4-12(19-10)9-17-14-6-7-18-15-5-3-11(16)8-13(14)15/h2-5,8,14,17H,6-7,9H2,1H3.
What are the key properties of 6-bromo-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 322.20 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 47624108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).