N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]propan-1-amine

C15H20N2O2 — CID 105025942

IUPACN-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(OC)c1)c1coc(C)c1
InChIInChI=1S/C15H20N2O2/c1-4-5-17-15(13-6-11(2)19-10-13)12-7-14(18-3)9-16-8-12/h6-10,15,17H,4-5H2,1-3H3
InChIKeyMFQPLKRSZUARJL-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.08
Rot. Bonds6

About N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]propan-1-amine

N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]propan-1-amine (PubChem CID 105025942) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
PubChem CID105025942
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(OC)c1)c1coc(C)c1
InChIInChI=1S/C15H20N2O2/c1-4-5-17-15(13-6-11(2)19-10-13)12-7-14(18-3)9-16-8-12/h6-10,15,17H,4-5H2,1-3H3
InChIKeyMFQPLKRSZUARJL-UHFFFAOYSA-N
XLogP3.08
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 105026071
N-[(3-bromo-4-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105026163
N-[(3-bromo-5-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105025989
N-[(3-chloro-4-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105025776
N-[(5-methoxy-3-pyridinyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878523
N-[(2,6-difluoro-4-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820154
N-[(5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105025951
N-[(5-methylfuran-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105006407
N-[(2-methoxy-3,4-dimethylphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 103435182
N-[(3-chloro-2-pyridinyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 103444757
1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine
CID 105026088
1-(5-methoxy-3-pyridinyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105026226

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]propan-1-amine (CID 105025942) is N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]propan-1-amine is CCCNC(c1cncc(OC)c1)c1coc(C)c1.
What is the InChIKey of N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]propan-1-amine?
The InChIKey is MFQPLKRSZUARJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-5-17-15(13-6-11(2)19-10-13)12-7-14(18-3)9-16-8-12/h6-10,15,17H,4-5H2,1-3H3.
What are the key properties of N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]propan-1-amine?
N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]propan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 3.08, 6 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]propan-1-amine is sourced from PubChem (CID 105025942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).