N-[(5-bromofuran-2-yl)methyl]-4-cyclopropyloxolan-3-amine

C12H16BrNO2 — CID 165457967

IUPACN-[(5-bromofuran-2-yl)methyl]-4-cyclopropyloxolan-3-amine
SMILESBrc1ccc(CNC2COCC2C2CC2)o1
InChIInChI=1S/C12H16BrNO2/c13-12-4-3-9(16-12)5-14-11-7-15-6-10(11)8-1-2-8/h3-4,8,10-11,14H,1-2,5-7H2
InChIKeyQTEFCSFNSFNXAZ-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.56
Rot. Bonds4

About N-[(5-bromofuran-2-yl)methyl]-4-cyclopropyloxolan-3-amine

N-[(5-bromofuran-2-yl)methyl]-4-cyclopropyloxolan-3-amine (PubChem CID 165457967) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-4-cyclopropyloxolan-3-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-4-cyclopropyloxolan-3-amine
PubChem CID165457967
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-4-cyclopropyloxolan-3-amine
SMILESBrc1ccc(CNC2COCC2C2CC2)o1
InChIInChI=1S/C12H16BrNO2/c13-12-4-3-9(16-12)5-14-11-7-15-6-10(11)8-1-2-8/h3-4,8,10-11,14H,1-2,5-7H2
InChIKeyQTEFCSFNSFNXAZ-UHFFFAOYSA-N
XLogP2.56
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R,2S)-2-[(5-bromofuran-2-yl)methylamino]cyclopentyl]ethanol
CID 99834074
N-[(5-bromofuran-2-yl)methyl]-2-ethylcyclopropan-1-amine
CID 103527272
N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 113268596
trans-methyl (1R,2R)-2-[(5-bromofuran-2-yl)methylamino]cyclopentane-1-carboxylate
CID 100615405
(3S,4R)-4-[(5-methylfuran-2-yl)methylamino]oxolan-3-ol
CID 94466425
N-[(5-bromofuran-2-yl)methyl]piperidin-3-amine
CID 131204068
N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181885
N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine
CID 43215825
1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 16787243
1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine
CID 130909482
N-[(5-bromofuran-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103527317
N-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747402

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-4-cyclopropyloxolan-3-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-4-cyclopropyloxolan-3-amine (CID 165457967) is N-[(5-bromofuran-2-yl)methyl]-4-cyclopropyloxolan-3-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-4-cyclopropyloxolan-3-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-4-cyclopropyloxolan-3-amine is Brc1ccc(CNC2COCC2C2CC2)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-4-cyclopropyloxolan-3-amine?
The InChIKey is QTEFCSFNSFNXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c13-12-4-3-9(16-12)5-14-11-7-15-6-10(11)8-1-2-8/h3-4,8,10-11,14H,1-2,5-7H2.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-4-cyclopropyloxolan-3-amine?
N-[(5-bromofuran-2-yl)methyl]-4-cyclopropyloxolan-3-amine has a molecular weight of 286.17 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-4-cyclopropyloxolan-3-amine is sourced from PubChem (CID 165457967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).