N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine

C13H16N2O3 — CID 103172772

IUPACN-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine
SMILESCOc1ccnc(CNCc2ccoc2)c1OC
InChIInChI=1S/C13H16N2O3/c1-16-12-3-5-15-11(13(12)17-2)8-14-7-10-4-6-18-9-10/h3-6,9,14H,7-8H2,1-2H3
InChIKeyAZELXVWUBNLVKJ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.98
Rot. Bonds6

About N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine

N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine (PubChem CID 103172772) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine
PubChem CID103172772
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine
SMILESCOc1ccnc(CNCc2ccoc2)c1OC
InChIInChI=1S/C13H16N2O3/c1-16-12-3-5-15-11(13(12)17-2)8-14-7-10-4-6-18-9-10/h3-6,9,14H,7-8H2,1-2H3
InChIKeyAZELXVWUBNLVKJ-UHFFFAOYSA-N
XLogP1.98
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(4-methylphenyl)methanamine
CID 103172192
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
1-(3,4-dimethoxy-2-pyridinyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103172419
1-(3,4-dimethoxy-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106371845
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine
CID 103172790
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 103172673
3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol
CID 103172250
1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
CID 103172321
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 103172132
1-(2,5-difluorophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
CID 103172479
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine
CID 103172116

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine?
The IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine (CID 103172772) is N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine.
What is the SMILES notation for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine?
The canonical SMILES for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine is COc1ccnc(CNCc2ccoc2)c1OC.
What is the InChIKey of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine?
The InChIKey is AZELXVWUBNLVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-16-12-3-5-15-11(13(12)17-2)8-14-7-10-4-6-18-9-10/h3-6,9,14H,7-8H2,1-2H3.
What are the key properties of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine?
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine has a molecular weight of 248.28 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine is sourced from PubChem (CID 103172772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).