N-[(5-bromofuran-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine

C12H13BrN2O2 — CID 28712167

IUPACN-[(5-bromofuran-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
SMILESCOc1ccc(CNCc2ccc(Br)o2)cn1
InChIInChI=1S/C12H13BrN2O2/c1-16-12-5-2-9(7-15-12)6-14-8-10-3-4-11(13)17-10/h2-5,7,14H,6,8H2,1H3
InChIKeyJKALLDMZOZAVCZ-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.74
Rot. Bonds5

About N-[(5-bromofuran-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine

N-[(5-bromofuran-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine (PubChem CID 28712167) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
PubChem CID28712167
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
SMILESCOc1ccc(CNCc2ccc(Br)o2)cn1
InChIInChI=1S/C12H13BrN2O2/c1-16-12-5-2-9(7-15-12)6-14-8-10-3-4-11(13)17-10/h2-5,7,14H,6,8H2,1H3
InChIKeyJKALLDMZOZAVCZ-UHFFFAOYSA-N
XLogP2.74
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 28712185
N-[(5-chlorothiophen-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 28712760
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 106263440
N-[(2-bromo-5-chlorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 66161046
2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 62989233
N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 62390689
(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 105014317
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170
1-(6-methoxy-3-pyridinyl)-N-(2H-tetrazol-5-ylmethyl)methanamine
CID 114936716
N-[(6-methoxy-3-pyridinyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
CID 28712766
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
1-(3-chloro-4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 81144859

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine (CID 28712167) is N-[(5-bromofuran-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine is COc1ccc(CNCc2ccc(Br)o2)cn1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine?
The InChIKey is JKALLDMZOZAVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-16-12-5-2-9(7-15-12)6-14-8-10-3-4-11(13)17-10/h2-5,7,14H,6,8H2,1H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine?
N-[(5-bromofuran-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine has a molecular weight of 297.15 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 28712167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).