1-(2-bromofuran-3-yl)-N-propylhexan-1-amine

C13H22BrNO — CID 106857248

IUPAC1-(2-bromofuran-3-yl)-N-propylhexan-1-amine
SMILESCCCCCC(NCCC)c1ccoc1Br
InChIInChI=1S/C13H22BrNO/c1-3-5-6-7-12(15-9-4-2)11-8-10-16-13(11)14/h8,10,12,15H,3-7,9H2,1-2H3
InChIKeyPXAFWCUZJYHCLK-UHFFFAOYSA-N
MW288.23 g/mol
LogP4.66
Rot. Bonds8

About 1-(2-bromofuran-3-yl)-N-propylhexan-1-amine

1-(2-bromofuran-3-yl)-N-propylhexan-1-amine (PubChem CID 106857248) has the molecular formula C13H22BrNO and a molecular weight of 288.23 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-N-propylhexan-1-amine
PubChem CID106857248
Molecular FormulaC13H22BrNO
Molecular Weight288.23 g/mol
Exact Mass287.09
IUPAC Name1-(2-bromofuran-3-yl)-N-propylhexan-1-amine
SMILESCCCCCC(NCCC)c1ccoc1Br
InChIInChI=1S/C13H22BrNO/c1-3-5-6-7-12(15-9-4-2)11-8-10-16-13(11)14/h8,10,12,15H,3-7,9H2,1-2H3
InChIKeyPXAFWCUZJYHCLK-UHFFFAOYSA-N
XLogP4.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromofuran-3-yl)-N-ethyldecan-1-amine
CID 106857211
1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine
CID 106856969
1-(2-bromofuran-3-yl)-3-ethyl-N-propylpentan-1-amine
CID 106858445
1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine
CID 106856875
1-(2-chlorofuran-3-yl)-N-propylpentan-1-amine
CID 106691699
1-(2-bromofuran-3-yl)heptan-1-ol
CID 106859123
N-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 106854675
1-(2-bromofuran-3-yl)octan-1-amine
CID 106857217
1-(2-bromo-3-methylphenyl)-N-propylhexan-1-amine
CID 114024195
1-(2,4-dibromophenyl)-N-propylheptan-1-amine
CID 107945392
1-(2-iodophenyl)-N-propylheptan-1-amine
CID 115833162
N-ethyl-1-(2-methylfuran-3-yl)decan-1-amine
CID 104790131

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-N-propylhexan-1-amine?
The IUPAC name of 1-(2-bromofuran-3-yl)-N-propylhexan-1-amine (CID 106857248) is 1-(2-bromofuran-3-yl)-N-propylhexan-1-amine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-N-propylhexan-1-amine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-N-propylhexan-1-amine is CCCCCC(NCCC)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-N-propylhexan-1-amine?
The InChIKey is PXAFWCUZJYHCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO/c1-3-5-6-7-12(15-9-4-2)11-8-10-16-13(11)14/h8,10,12,15H,3-7,9H2,1-2H3.
What are the key properties of 1-(2-bromofuran-3-yl)-N-propylhexan-1-amine?
1-(2-bromofuran-3-yl)-N-propylhexan-1-amine has a molecular weight of 288.23 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-N-propylhexan-1-amine is sourced from PubChem (CID 106857248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).