N-[(5-bromofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine

C11H16BrNO2 — CID 43208465

IUPACN-[(5-bromofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCc1ccc(Br)o1)C1CCCO1
InChIInChI=1S/C11H16BrNO2/c1-8(10-3-2-6-14-10)13-7-9-4-5-11(12)15-9/h4-5,8,10,13H,2-3,6-7H2,1H3
InChIKeyFCXADUQFPPQSIJ-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.70
Rot. Bonds4

About N-[(5-bromofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine

N-[(5-bromofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 43208465) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine
PubChem CID43208465
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCc1ccc(Br)o1)C1CCCO1
InChIInChI=1S/C11H16BrNO2/c1-8(10-3-2-6-14-10)13-7-9-4-5-11(12)15-9/h4-5,8,10,13H,2-3,6-7H2,1H3
InChIKeyFCXADUQFPPQSIJ-UHFFFAOYSA-N
XLogP2.70
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-iodofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43771994
(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine
CID 28973023
N-[(4-tert-butylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43111659
N-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43432082
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208412
N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208415
N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208430
N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylpropan-1-amine
CID 63476288
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43435325
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 106816198
N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208422
(1R)-1-[(2R)-oxolan-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 95177763

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine (CID 43208465) is N-[(5-bromofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine is CC(NCc1ccc(Br)o1)C1CCCO1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is FCXADUQFPPQSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-8(10-3-2-6-14-10)13-7-9-4-5-11(12)15-9/h4-5,8,10,13H,2-3,6-7H2,1H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine?
N-[(5-bromofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 274.16 g/mol, XLogP of 2.70, 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]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 43208465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).