N-[(2-bromofuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine

C16H26BrNO2 — CID 106858824

IUPACN-[(2-bromofuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1Br)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H26BrNO2/c1-6-8-18-13(11-7-9-19-14(11)17)12-10-15(2,3)20-16(12,4)5/h7,9,12-13,18H,6,8,10H2,1-5H3
InChIKeyPNSBFWSKXILIAU-UHFFFAOYSA-N
MW344.29 g/mol
LogP4.68
Rot. Bonds5

About N-[(2-bromofuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine

N-[(2-bromofuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 106858824) has the molecular formula C16H26BrNO2 and a molecular weight of 344.29 g/mol. Its IUPAC name is N-[(2-bromofuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromofuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
PubChem CID106858824
Molecular FormulaC16H26BrNO2
Molecular Weight344.29 g/mol
Exact Mass343.11
IUPAC NameN-[(2-bromofuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1Br)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H26BrNO2/c1-6-8-18-13(11-7-9-19-14(11)17)12-10-15(2,3)20-16(12,4)5/h7,9,12-13,18H,6,8,10H2,1-5H3
InChIKeyPNSBFWSKXILIAU-UHFFFAOYSA-N
XLogP4.68
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-bromofuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(4-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 114622827
N-[(5-ethylthiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 105052858
N-[(4,5-dimethylthiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 105052718
N-[(5-methylpyrazin-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 105189181
N-[pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 114622846
N-[(3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 114622794
N-[(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 107977782
N-[(2-bromo-3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 105053129
N-[(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 105189225
[(2-methylfuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105269161
[(2-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105208749
N-[(2,3-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 105052792

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromofuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromofuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine (CID 106858824) is N-[(2-bromofuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromofuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromofuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine is CCCNC(c1ccoc1Br)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-[(2-bromofuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is PNSBFWSKXILIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO2/c1-6-8-18-13(11-7-9-19-14(11)17)12-10-15(2,3)20-16(12,4)5/h7,9,12-13,18H,6,8,10H2,1-5H3.
What are the key properties of N-[(2-bromofuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine?
N-[(2-bromofuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 344.29 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromofuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 106858824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).