1-(2-bromofuran-3-yl)-N-ethyl-3-methylbutan-1-amine

C11H18BrNO — CID 106856891

IUPAC1-(2-bromofuran-3-yl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)c1ccoc1Br
InChIInChI=1S/C11H18BrNO/c1-4-13-10(7-8(2)3)9-5-6-14-11(9)12/h5-6,8,10,13H,4,7H2,1-3H3
InChIKeyLCQGSCDQOCRBHD-UHFFFAOYSA-N
MW260.17 g/mol
LogP3.74
Rot. Bonds5

About 1-(2-bromofuran-3-yl)-N-ethyl-3-methylbutan-1-amine

1-(2-bromofuran-3-yl)-N-ethyl-3-methylbutan-1-amine (PubChem CID 106856891) has the molecular formula C11H18BrNO and a molecular weight of 260.17 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-N-ethyl-3-methylbutan-1-amine
PubChem CID106856891
Molecular FormulaC11H18BrNO
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC Name1-(2-bromofuran-3-yl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)c1ccoc1Br
InChIInChI=1S/C11H18BrNO/c1-4-13-10(7-8(2)3)9-5-6-14-11(9)12/h5-6,8,10,13H,4,7H2,1-3H3
InChIKeyLCQGSCDQOCRBHD-UHFFFAOYSA-N
XLogP3.74
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine
CID 106856875
1-(2-bromofuran-3-yl)-2-ethoxy-N-ethylethanamine
CID 106858103
1-(2-bromofuran-3-yl)-N-ethyldecan-1-amine
CID 106857211
1-(2-bromofuran-3-yl)-3-ethyl-N-propylpentan-1-amine
CID 106858445
1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 106854656
1-(2-bromofuran-3-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 106857185
1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 106854724
N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine
CID 62715882
1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 106854815
N-[(2-bromofuran-3-yl)-cyclobutylmethyl]ethanamine
CID 106858770
1-(2-bromofuran-3-yl)-N-propylhexan-1-amine
CID 106857248
1-(2,5-dibromo-4-methylphenyl)-N-ethyl-3-methylbutan-1-amine
CID 81472790

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 1-(2-bromofuran-3-yl)-N-ethyl-3-methylbutan-1-amine (CID 106856891) is 1-(2-bromofuran-3-yl)-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-N-ethyl-3-methylbutan-1-amine is CCNC(CC(C)C)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-N-ethyl-3-methylbutan-1-amine?
The InChIKey is LCQGSCDQOCRBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO/c1-4-13-10(7-8(2)3)9-5-6-14-11(9)12/h5-6,8,10,13H,4,7H2,1-3H3.
What are the key properties of 1-(2-bromofuran-3-yl)-N-ethyl-3-methylbutan-1-amine?
1-(2-bromofuran-3-yl)-N-ethyl-3-methylbutan-1-amine has a molecular weight of 260.17 g/mol, XLogP of 3.74, 5 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-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 106856891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).