N-[(5-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine

C13H15BrN2O — CID 115854954

IUPACN-[(5-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)c1ccc(Br)o1
InChIInChI=1S/C13H15BrN2O/c1-3-15-13(11-6-7-12(14)17-11)10-5-4-9(2)16-8-10/h4-8,13,15H,3H2,1-2H3
InChIKeyJPXRXWGIACJIEL-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.44
Rot. Bonds4

About N-[(5-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine

N-[(5-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 115854954) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID115854954
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC NameN-[(5-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)c1ccc(Br)o1
InChIInChI=1S/C13H15BrN2O/c1-3-15-13(11-6-7-12(14)17-11)10-5-4-9(2)16-8-10/h4-8,13,15H,3H2,1-2H3
InChIKeyJPXRXWGIACJIEL-UHFFFAOYSA-N
XLogP3.44
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 106692001
N-[(4-ethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55165244
N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine
CID 105118897
N-[(5-bromofuran-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491302
N-[(6-methyl-3-pyridinyl)-(4-propylphenyl)methyl]ethanamine
CID 105144382
N-[(4-bromo-3-chlorophenyl)-(5-bromofuran-2-yl)methyl]ethanamine
CID 81291306
N-[(3-methylfuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104805386
N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155732
N-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine
CID 105045025
N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115854580
N-[(4-fluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 63155426
N-[(6-methyl-3-pyridinyl)-naphthalen-2-ylmethyl]ethanamine
CID 63155569

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine (CID 115854954) is N-[(5-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1ccc(C)nc1)c1ccc(Br)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is JPXRXWGIACJIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-3-15-13(11-6-7-12(14)17-11)10-5-4-9(2)16-8-10/h4-8,13,15H,3H2,1-2H3.
What are the key properties of N-[(5-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
N-[(5-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 295.18 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 115854954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).