N-[(5-bromofuran-3-yl)methyl]oxolan-3-amine

C9H12BrNO2 — CID 130962059

IUPACN-[(5-bromofuran-3-yl)methyl]oxolan-3-amine
SMILESBrc1cc(CNC2CCOC2)co1
InChIInChI=1S/C9H12BrNO2/c10-9-3-7(5-13-9)4-11-8-1-2-12-6-8/h3,5,8,11H,1-2,4,6H2
InChIKeyMEEATGQXSNNDCT-UHFFFAOYSA-N
MW246.10 g/mol
LogP1.92
Rot. Bonds3

About N-[(5-bromofuran-3-yl)methyl]oxolan-3-amine

N-[(5-bromofuran-3-yl)methyl]oxolan-3-amine (PubChem CID 130962059) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is N-[(5-bromofuran-3-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-3-yl)methyl]oxolan-3-amine
PubChem CID130962059
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC NameN-[(5-bromofuran-3-yl)methyl]oxolan-3-amine
SMILESBrc1cc(CNC2CCOC2)co1
InChIInChI=1S/C9H12BrNO2/c10-9-3-7(5-13-9)4-11-8-1-2-12-6-8/h3,5,8,11H,1-2,4,6H2
InChIKeyMEEATGQXSNNDCT-UHFFFAOYSA-N
XLogP1.92
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromofuran-3-yl)methyl]-3-methylcyclobutan-1-amine
CID 131042732
N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 130636961
N-(pyridin-4-ylmethyl)oxolan-3-amine
CID 63331890
N-[(1-methylpyrazol-4-yl)methyl]oxolan-3-amine
CID 63335876
5-bromo-N-(oxolan-3-yl)furan-3-carboxamide
CID 130882956
N-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine
CID 115688940
N-[(4-methoxyphenyl)methyl]oxolan-3-amine
CID 63332037
N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 63331563
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]oxan-3-amine
CID 55188959
3-[(oxolan-3-ylamino)methyl]benzamide
CID 63332008
3-[(5-bromofuran-3-yl)methyl]oxan-4-one
CID 130718317
N-[(2-bromophenyl)methyl]oxan-3-amine
CID 63360139

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-3-yl)methyl]oxolan-3-amine?
The IUPAC name of N-[(5-bromofuran-3-yl)methyl]oxolan-3-amine (CID 130962059) is N-[(5-bromofuran-3-yl)methyl]oxolan-3-amine.
What is the SMILES notation for N-[(5-bromofuran-3-yl)methyl]oxolan-3-amine?
The canonical SMILES for N-[(5-bromofuran-3-yl)methyl]oxolan-3-amine is Brc1cc(CNC2CCOC2)co1.
What is the InChIKey of N-[(5-bromofuran-3-yl)methyl]oxolan-3-amine?
The InChIKey is MEEATGQXSNNDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c10-9-3-7(5-13-9)4-11-8-1-2-12-6-8/h3,5,8,11H,1-2,4,6H2.
What are the key properties of N-[(5-bromofuran-3-yl)methyl]oxolan-3-amine?
N-[(5-bromofuran-3-yl)methyl]oxolan-3-amine has a molecular weight of 246.10 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-3-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 130962059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).