N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine

C16H22N2O2 — CID 62455387

IUPACN-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccoc1COCCc1ccccn1
InChIInChI=1S/C16H22N2O2/c1-2-8-17-12-14-6-11-20-16(14)13-19-10-7-15-5-3-4-9-18-15/h3-6,9,11,17H,2,7-8,10,12-13H2,1H3
InChIKeyJBBJDFWRYMIVTJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.93
Rot. Bonds9

About N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine

N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine (PubChem CID 62455387) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
PubChem CID62455387
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccoc1COCCc1ccccn1
InChIInChI=1S/C16H22N2O2/c1-2-8-17-12-14-6-11-20-16(14)13-19-10-7-15-5-3-4-9-18-15/h3-6,9,11,17H,2,7-8,10,12-13H2,1H3
InChIKeyJBBJDFWRYMIVTJ-UHFFFAOYSA-N
XLogP2.93
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62455562
N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 62446087
N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 66226372
N-[[2-(but-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62442858
N-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 79113962
N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62458419
N-[(3-methylfuran-2-yl)methyl]-2-pyridin-2-ylethanamine
CID 115651235
N-[[2-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 63647733
3-(2-pyridin-2-ylethoxymethyl)furan-2-carboxylic acid
CID 43153171
N-[[2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 65125350
N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62444510
2-methyl-1-(propylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol
CID 66336556

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine (CID 62455387) is N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine is CCCNCc1ccoc1COCCc1ccccn1.
What is the InChIKey of N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine?
The InChIKey is JBBJDFWRYMIVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-8-17-12-14-6-11-20-16(14)13-19-10-7-15-5-3-4-9-18-15/h3-6,9,11,17H,2,7-8,10,12-13H2,1H3.
What are the key properties of N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine?
N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine has a molecular weight of 274.36 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62455387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).