1-(5-bromofuran-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine

C12H18BrNO2 — CID 114465820

IUPAC1-(5-bromofuran-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
SMILESC=C(C)COCCNC(C)c1ccc(Br)o1
InChIInChI=1S/C12H18BrNO2/c1-9(2)8-15-7-6-14-10(3)11-4-5-12(13)16-11/h4-5,10,14H,1,6-8H2,2-3H3
InChIKeyVFSSOGNIIHXMPU-UHFFFAOYSA-N
MW288.19 g/mol
LogP3.29
Rot. Bonds7

About 1-(5-bromofuran-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine

1-(5-bromofuran-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine (PubChem CID 114465820) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
PubChem CID114465820
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name1-(5-bromofuran-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
SMILESC=C(C)COCCNC(C)c1ccc(Br)o1
InChIInChI=1S/C12H18BrNO2/c1-9(2)8-15-7-6-14-10(3)11-4-5-12(13)16-11/h4-5,10,14H,1,6-8H2,2-3H3
InChIKeyVFSSOGNIIHXMPU-UHFFFAOYSA-N
XLogP3.29
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5-bromofuran-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine
CID 115698242
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 115894123
4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
CID 107093913
1-(3-bromo-4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 115894034
N'-[1-(5-bromofuran-2-yl)ethyl]butane-1,4-diamine
CID 104652736
N-[1-(5-bromofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine
CID 107094355
N-[1-(5-bromofuran-2-yl)ethyl]but-3-yn-1-amine
CID 104653023
N-[1-(5-bromofuran-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 113437435
1-[1-(5-bromofuran-2-yl)ethylamino]-3-methoxypropan-2-ol
CID 104653027
3-[1-(5-bromofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 104653257
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-nitrophenyl)ethanamine
CID 115698245
1-(5-bromofuran-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 104652747

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine (CID 114465820) is 1-(5-bromofuran-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine is C=C(C)COCCNC(C)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine?
The InChIKey is VFSSOGNIIHXMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-9(2)8-15-7-6-14-10(3)11-4-5-12(13)16-11/h4-5,10,14H,1,6-8H2,2-3H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine?
1-(5-bromofuran-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine has a molecular weight of 288.19 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine is sourced from PubChem (CID 114465820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).