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

C16H28BrNO — CID 106857211

IUPAC1-(2-bromofuran-3-yl)-N-ethyldecan-1-amine
SMILESCCCCCCCCCC(NCC)c1ccoc1Br
InChIInChI=1S/C16H28BrNO/c1-3-5-6-7-8-9-10-11-15(18-4-2)14-12-13-19-16(14)17/h12-13,15,18H,3-11H2,1-2H3
InChIKeyBCJHBWZUVZHFSH-UHFFFAOYSA-N
MW330.31 g/mol
LogP5.83
Rot. Bonds11

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

1-(2-bromofuran-3-yl)-N-ethyldecan-1-amine (PubChem CID 106857211) has the molecular formula C16H28BrNO and a molecular weight of 330.31 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-N-ethyldecan-1-amine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-N-ethyldecan-1-amine
PubChem CID106857211
Molecular FormulaC16H28BrNO
Molecular Weight330.31 g/mol
Exact Mass329.14
IUPAC Name1-(2-bromofuran-3-yl)-N-ethyldecan-1-amine
SMILESCCCCCCCCCC(NCC)c1ccoc1Br
InChIInChI=1S/C16H28BrNO/c1-3-5-6-7-8-9-10-11-15(18-4-2)14-12-13-19-16(14)17/h12-13,15,18H,3-11H2,1-2H3
InChIKeyBCJHBWZUVZHFSH-UHFFFAOYSA-N
XLogP5.83
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.31
LogP ≤ 55.83
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-propylhexan-1-amine
CID 106857248
1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine
CID 106856875
N-ethyl-1-(2-methylfuran-3-yl)decan-1-amine
CID 104790131
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881
1-(2-bromofuran-3-yl)heptan-1-ol
CID 106859123
1-(2-bromofuran-3-yl)octan-1-amine
CID 106857217
1-(2-bromofuran-3-yl)-N-ethyl-3-methylbutan-1-amine
CID 106856891
N-ethyl-1-(3-methylfuran-2-yl)octan-1-amine
CID 104805256
1-(2-bromofuran-3-yl)-2-ethoxy-N-ethylethanamine
CID 106858103
N-ethyl-1-(3-methylfuran-2-yl)decan-1-amine
CID 104805306
1-(2,4-dibromophenyl)-N-ethylnonan-1-amine
CID 107945403
1-(2-bromofuran-3-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 106857185

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-N-ethyldecan-1-amine?
The IUPAC name of 1-(2-bromofuran-3-yl)-N-ethyldecan-1-amine (CID 106857211) is 1-(2-bromofuran-3-yl)-N-ethyldecan-1-amine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-N-ethyldecan-1-amine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-N-ethyldecan-1-amine is CCCCCCCCCC(NCC)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-N-ethyldecan-1-amine?
The InChIKey is BCJHBWZUVZHFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BrNO/c1-3-5-6-7-8-9-10-11-15(18-4-2)14-12-13-19-16(14)17/h12-13,15,18H,3-11H2,1-2H3.
What are the key properties of 1-(2-bromofuran-3-yl)-N-ethyldecan-1-amine?
1-(2-bromofuran-3-yl)-N-ethyldecan-1-amine has a molecular weight of 330.31 g/mol, XLogP of 5.83, 11 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-ethyldecan-1-amine is sourced from PubChem (CID 106857211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).