N-[[2-(4,5-dibromofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine

C13H19Br2NO2 — CID 79364794

IUPACN-[[2-(4,5-dibromofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCOC1c1cc(Br)c(Br)o1
InChIInChI=1S/C13H19Br2NO2/c1-8(2)6-16-7-9-3-4-17-12(9)11-5-10(14)13(15)18-11/h5,8-9,12,16H,3-4,6-7H2,1-2H3
InChIKeyQZIVHXPJKQRIFQ-UHFFFAOYSA-N
MW381.11 g/mol
LogP4.13
Rot. Bonds5

About N-[[2-(4,5-dibromofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine

N-[[2-(4,5-dibromofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 79364794) has the molecular formula C13H19Br2NO2 and a molecular weight of 381.11 g/mol. Its IUPAC name is N-[[2-(4,5-dibromofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4,5-dibromofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID79364794
Molecular FormulaC13H19Br2NO2
Molecular Weight381.11 g/mol
Exact Mass378.98
IUPAC NameN-[[2-(4,5-dibromofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCOC1c1cc(Br)c(Br)o1
InChIInChI=1S/C13H19Br2NO2/c1-8(2)6-16-7-9-3-4-17-12(9)11-5-10(14)13(15)18-11/h5,8-9,12,16H,3-4,6-7H2,1-2H3
InChIKeyQZIVHXPJKQRIFQ-UHFFFAOYSA-N
XLogP4.13
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.11
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 83241634
N-[[2-(5-ethylfuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364973
N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 79365705
N-[[2-(4-methoxy-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 79367996
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 113344558
2-methyl-N-[[2-(4-methylpentan-2-yl)oxolan-3-yl]methyl]propan-1-amine
CID 114201269
N-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364574
N-[[2-[(4-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81022554
N-[[2-(4-chloro-3-fluorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79365307
N-[[2-[3-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79371187
1-[2-(1-benzofuran-2-yl)oxolan-3-yl]-N-methylmethanamine
CID 79367665
N-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]ethanamine
CID 83241190

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4,5-dibromofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4,5-dibromofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine (CID 79364794) is N-[[2-(4,5-dibromofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4,5-dibromofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4,5-dibromofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCOC1c1cc(Br)c(Br)o1.
What is the InChIKey of N-[[2-(4,5-dibromofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is QZIVHXPJKQRIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2NO2/c1-8(2)6-16-7-9-3-4-17-12(9)11-5-10(14)13(15)18-11/h5,8-9,12,16H,3-4,6-7H2,1-2H3.
What are the key properties of N-[[2-(4,5-dibromofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(4,5-dibromofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 381.11 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4,5-dibromofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79364794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).