1-(furan-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine

C14H18N2O2 — CID 62990396

IUPAC1-(furan-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine
SMILESCCC(NCc1ccnc(OC)c1)c1ccco1
InChIInChI=1S/C14H18N2O2/c1-3-12(13-5-4-8-18-13)16-10-11-6-7-15-14(9-11)17-2/h4-9,12,16H,3,10H2,1-2H3
InChIKeySJDJHRZFXSAGBV-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.92
Rot. Bonds6

About 1-(furan-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine

1-(furan-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine (PubChem CID 62990396) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine
PubChem CID62990396
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(furan-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine
SMILESCCC(NCc1ccnc(OC)c1)c1ccco1
InChIInChI=1S/C14H18N2O2/c1-3-12(13-5-4-8-18-13)16-10-11-6-7-15-14(9-11)17-2/h4-9,12,16H,3,10H2,1-2H3
InChIKeySJDJHRZFXSAGBV-UHFFFAOYSA-N
XLogP2.92
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 1-(furan-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine (CID 62990396) is 1-(furan-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 1-(furan-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine is CCC(NCc1ccnc(OC)c1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine?
The InChIKey is SJDJHRZFXSAGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-12(13-5-4-8-18-13)16-10-11-6-7-15-14(9-11)17-2/h4-9,12,16H,3,10H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine?
1-(furan-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine has a molecular weight of 246.31 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 62990396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).