N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]ethanamine

C14H18N2O2 — CID 105026071

IUPACN-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1cncc(OC)c1)c1coc(C)c1
InChIInChI=1S/C14H18N2O2/c1-4-16-14(12-5-10(2)18-9-12)11-6-13(17-3)8-15-7-11/h5-9,14,16H,4H2,1-3H3
InChIKeyAVSHMWUIBYUFGA-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.69
Rot. Bonds5

About N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]ethanamine

N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]ethanamine (PubChem CID 105026071) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]ethanamine
PubChem CID105026071
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1cncc(OC)c1)c1coc(C)c1
InChIInChI=1S/C14H18N2O2/c1-4-16-14(12-5-10(2)18-9-12)11-6-13(17-3)8-15-7-11/h5-9,14,16H,4H2,1-3H3
InChIKeyAVSHMWUIBYUFGA-UHFFFAOYSA-N
XLogP2.69
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 105025942
N-[(3-chloro-5-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105025798
N-[(4-chloro-3-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105026066
N-[(2,3-dimethylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105025837
N-[(3-ethyl-6-methylpyridazin-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105175289
N-[(2,6-difluoro-3-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105025947
N-[(5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 105025866
N-[(3-bromo-4-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105026163
N-[(3-ethyl-1-methylpyrazol-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 102812742
N-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820182
N-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114819976
N-[(2-bromo-3,4-difluorophenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 107539197

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]ethanamine?
The IUPAC name of N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]ethanamine (CID 105026071) is N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]ethanamine is CCNC(c1cncc(OC)c1)c1coc(C)c1.
What is the InChIKey of N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]ethanamine?
The InChIKey is AVSHMWUIBYUFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-16-14(12-5-10(2)18-9-12)11-6-13(17-3)8-15-7-11/h5-9,14,16H,4H2,1-3H3.
What are the key properties of N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]ethanamine?
N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]ethanamine has a molecular weight of 246.31 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 105026071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).