2-(5-bromofuran-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine

C12H19BrN2O2 — CID 102965074

IUPAC2-(5-bromofuran-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine
SMILESCOC1CCCN(C(CN)c2ccc(Br)o2)C1
InChIInChI=1S/C12H19BrN2O2/c1-16-9-3-2-6-15(8-9)10(7-14)11-4-5-12(13)17-11/h4-5,9-10H,2-3,6-8,14H2,1H3
InChIKeyRIGXVJCXZMYCSR-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.15
Rot. Bonds4

About 2-(5-bromofuran-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine

2-(5-bromofuran-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine (PubChem CID 102965074) has the molecular formula C12H19BrN2O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine
PubChem CID102965074
Molecular FormulaC12H19BrN2O2
Molecular Weight303.20 g/mol
Exact Mass302.06
IUPAC Name2-(5-bromofuran-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine
SMILESCOC1CCCN(C(CN)c2ccc(Br)o2)C1
InChIInChI=1S/C12H19BrN2O2/c1-16-9-3-2-6-15(8-9)10(7-14)11-4-5-12(13)17-11/h4-5,9-10H,2-3,6-8,14H2,1H3
InChIKeyRIGXVJCXZMYCSR-UHFFFAOYSA-N
XLogP2.15
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromofuran-2-yl)-2-(4-ethoxypiperidin-1-yl)ethanamine
CID 61219757
2-(5-bromofuran-2-yl)-2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine
CID 114218323
2-(5-bromo-2-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965132
2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965160
2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965080
2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine
CID 102965278
2-[3-(difluoromethyl)phenyl]-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965275
2-(furan-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103530810
3-(3-methoxypiperidin-1-yl)-2-methylbutan-1-amine
CID 102968184
2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965128
2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103530959
2-(3-methoxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 102965130

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine?
The IUPAC name of 2-(5-bromofuran-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine (CID 102965074) is 2-(5-bromofuran-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(5-bromofuran-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine is COC1CCCN(C(CN)c2ccc(Br)o2)C1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine?
The InChIKey is RIGXVJCXZMYCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2/c1-16-9-3-2-6-15(8-9)10(7-14)11-4-5-12(13)17-11/h4-5,9-10H,2-3,6-8,14H2,1H3.
What are the key properties of 2-(5-bromofuran-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine?
2-(5-bromofuran-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine has a molecular weight of 303.20 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine is sourced from PubChem (CID 102965074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).