1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine

C13H21BrN2O — CID 113437537

IUPAC1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
SMILESCC(NCC1CCCN(C)C1)c1ccc(Br)o1
InChIInChI=1S/C13H21BrN2O/c1-10(12-5-6-13(14)17-12)15-8-11-4-3-7-16(2)9-11/h5-6,10-11,15H,3-4,7-9H2,1-2H3
InChIKeyYFCBMXBEEQOZLT-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.03
Rot. Bonds4

About 1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine

1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine (PubChem CID 113437537) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
PubChem CID113437537
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
SMILESCC(NCC1CCCN(C)C1)c1ccc(Br)o1
InChIInChI=1S/C13H21BrN2O/c1-10(12-5-6-13(14)17-12)15-8-11-4-3-7-16(2)9-11/h5-6,10-11,15H,3-4,7-9H2,1-2H3
InChIKeyYFCBMXBEEQOZLT-UHFFFAOYSA-N
XLogP3.03
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine with MolForge

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Related Compounds

(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81403787
(1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81379189
(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine
CID 81350574
N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine
CID 62090707
3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 107094347
1-(4-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
CID 55099655
2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 113437563
N-[(1-methylpiperidin-3-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106281613
N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 43298426
tert-butyl 2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 107093651
1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
CID 114829632
1-(3-bromo-4-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 54927743

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine (CID 113437537) is 1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine is CC(NCC1CCCN(C)C1)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine?
The InChIKey is YFCBMXBEEQOZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-10(12-5-6-13(14)17-12)15-8-11-4-3-7-16(2)9-11/h5-6,10-11,15H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine?
1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine has a molecular weight of 301.23 g/mol, XLogP of 3.03, 4 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-[(1-methylpiperidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 113437537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).