N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine

C12H12Br2N2O2 — CID 62989679

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
SMILESCOc1cc(CNCc2cc(Br)c(Br)o2)ccn1
InChIInChI=1S/C12H12Br2N2O2/c1-17-11-4-8(2-3-16-11)6-15-7-9-5-10(13)12(14)18-9/h2-5,15H,6-7H2,1H3
InChIKeyWICICDZYZAIZKP-UHFFFAOYSA-N
MW376.05 g/mol
LogP3.50
Rot. Bonds5

About N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine

N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine (PubChem CID 62989679) has the molecular formula C12H12Br2N2O2 and a molecular weight of 376.05 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
PubChem CID62989679
Molecular FormulaC12H12Br2N2O2
Molecular Weight376.05 g/mol
Exact Mass373.93
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
SMILESCOc1cc(CNCc2cc(Br)c(Br)o2)ccn1
InChIInChI=1S/C12H12Br2N2O2/c1-17-11-4-8(2-3-16-11)6-15-7-9-5-10(13)12(14)18-9/h2-5,15H,6-7H2,1H3
InChIKeyWICICDZYZAIZKP-UHFFFAOYSA-N
XLogP3.50
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.05
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 60760753
5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]furan-3-carboxylic acid
CID 104608919
1-(1,3-benzodioxol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 62991279
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
N-[(2-methoxyphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 60760659
2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-3-amine
CID 66385805
1-(3-chloro-4-fluorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 81145864
4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 62991104
1-(2-methoxy-4-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 79267784
N-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 106862632
5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]pyrrolidin-2-one
CID 107529441
1-(2-methoxy-4-pyridinyl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 114555758

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine (CID 62989679) is N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine is COc1cc(CNCc2cc(Br)c(Br)o2)ccn1.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine?
The InChIKey is WICICDZYZAIZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2O2/c1-17-11-4-8(2-3-16-11)6-15-7-9-5-10(13)12(14)18-9/h2-5,15H,6-7H2,1H3.
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine?
N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine has a molecular weight of 376.05 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine is sourced from PubChem (CID 62989679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).