N-[1-(5-bromofuran-2-yl)-2-ethoxyethyl]propan-1-amine

C11H18BrNO2 — CID 105007868

IUPACN-[1-(5-bromofuran-2-yl)-2-ethoxyethyl]propan-1-amine
SMILESCCCNC(COCC)c1ccc(Br)o1
InChIInChI=1S/C11H18BrNO2/c1-3-7-13-9(8-14-4-2)10-5-6-11(12)15-10/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyRAUSFPABLBOTBI-UHFFFAOYSA-N
MW276.17 g/mol
LogP3.12
Rot. Bonds7

About N-[1-(5-bromofuran-2-yl)-2-ethoxyethyl]propan-1-amine

N-[1-(5-bromofuran-2-yl)-2-ethoxyethyl]propan-1-amine (PubChem CID 105007868) has the molecular formula C11H18BrNO2 and a molecular weight of 276.17 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)-2-ethoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)-2-ethoxyethyl]propan-1-amine
PubChem CID105007868
Molecular FormulaC11H18BrNO2
Molecular Weight276.17 g/mol
Exact Mass275.05
IUPAC NameN-[1-(5-bromofuran-2-yl)-2-ethoxyethyl]propan-1-amine
SMILESCCCNC(COCC)c1ccc(Br)o1
InChIInChI=1S/C11H18BrNO2/c1-3-7-13-9(8-14-4-2)10-5-6-11(12)15-10/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyRAUSFPABLBOTBI-UHFFFAOYSA-N
XLogP3.12
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 105412533
1-(5-bromofuran-2-yl)-N-propylhex-5-en-1-amine
CID 104986700
N-[1-(4,5-dibromothiophen-2-yl)-2-ethoxyethyl]propan-1-amine
CID 105007809
N-[1-(5-bromofuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 115826237
N-[1-(5-bromofuran-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103052766
N-[2-ethoxy-1-(2,3,4,5,6-pentafluorophenyl)ethyl]propan-1-amine
CID 105007866
N-[1-(3-bromo-5-chlorophenyl)-2-ethoxyethyl]propan-1-amine
CID 114019324
4-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105165096
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxyethyl]propan-1-amine
CID 114655999
N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine
CID 105007943
N-[1-(5-bromofuran-2-yl)propyl]hydroxylamine
CID 130151575
N-[(5-bromofuran-2-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine
CID 43495744

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)-2-ethoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)-2-ethoxyethyl]propan-1-amine (CID 105007868) is N-[1-(5-bromofuran-2-yl)-2-ethoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)-2-ethoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)-2-ethoxyethyl]propan-1-amine is CCCNC(COCC)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)-2-ethoxyethyl]propan-1-amine?
The InChIKey is RAUSFPABLBOTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO2/c1-3-7-13-9(8-14-4-2)10-5-6-11(12)15-10/h5-6,9,13H,3-4,7-8H2,1-2H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)-2-ethoxyethyl]propan-1-amine?
N-[1-(5-bromofuran-2-yl)-2-ethoxyethyl]propan-1-amine has a molecular weight of 276.17 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)-2-ethoxyethyl]propan-1-amine is sourced from PubChem (CID 105007868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).