1-(5-bromofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine

C13H15BrN2O — CID 82732596

IUPAC1-(5-bromofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
SMILESCCc1cccnc1CNCc1ccc(Br)o1
InChIInChI=1S/C13H15BrN2O/c1-2-10-4-3-7-16-12(10)9-15-8-11-5-6-13(14)17-11/h3-7,15H,2,8-9H2,1H3
InChIKeyZZJMKSGTXXYFRD-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.29
Rot. Bonds5

About 1-(5-bromofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine

1-(5-bromofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine (PubChem CID 82732596) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
PubChem CID82732596
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name1-(5-bromofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
SMILESCCc1cccnc1CNCc1ccc(Br)o1
InChIInChI=1S/C13H15BrN2O/c1-2-10-4-3-7-16-12(10)9-15-8-11-5-6-13(14)17-11/h3-7,15H,2,8-9H2,1H3
InChIKeyZZJMKSGTXXYFRD-UHFFFAOYSA-N
XLogP3.29
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82731897
N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 82732935
2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82738095
1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82731760
1-(2-ethoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82733206
N-[(3-ethyl-2-pyridinyl)methyl]-1-pyrazin-2-ylmethanamine
CID 82733194
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82733516
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine
CID 82731871
1-(2-bromo-5-methoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82738742
N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 82731778
2,3-diethylpyridine
CID 14747123
N-[(3-ethyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine
CID 82733178

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine (CID 82732596) is 1-(5-bromofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine is CCc1cccnc1CNCc1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
The InChIKey is ZZJMKSGTXXYFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-2-10-4-3-7-16-12(10)9-15-8-11-5-6-13(14)17-11/h3-7,15H,2,8-9H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
1-(5-bromofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine has a molecular weight of 295.18 g/mol, XLogP of 3.29, 5 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-[(3-ethyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 82732596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).