N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine

C17H25NO2 — CID 62449528

IUPACN-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
SMILESCCCCOCc1oc2ccccc2c1CNCCC
InChIInChI=1S/C17H25NO2/c1-3-5-11-19-13-17-15(12-18-10-4-2)14-8-6-7-9-16(14)20-17/h6-9,18H,3-5,10-13H2,1-2H3
InChIKeyUITFSWPIXZJNOL-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.25
Rot. Bonds9

About N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine

N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine (PubChem CID 62449528) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
PubChem CID62449528
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
SMILESCCCCOCc1oc2ccccc2c1CNCCC
InChIInChI=1S/C17H25NO2/c1-3-5-11-19-13-17-15(12-18-10-4-2)14-8-6-7-9-16(14)20-17/h6-9,18H,3-5,10-13H2,1-2H3
InChIKeyUITFSWPIXZJNOL-UHFFFAOYSA-N
XLogP4.25
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(but-3-enoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62443231
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62450257
N-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 63685145
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine
CID 43392217
N-[[2-(cyclobutyloxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62441049
3-butoxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]propan-1-amine
CID 115774516
N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
CID 43226064
[3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62456387
N-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62449526
[3-(octoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457211
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739
N-[[2-(3-methoxypropoxymethyl)-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62441095

Frequently Asked Questions

What is the IUPAC name of N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine (CID 62449528) is N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine is CCCCOCc1oc2ccccc2c1CNCCC.
What is the InChIKey of N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine?
The InChIKey is UITFSWPIXZJNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-5-11-19-13-17-15(12-18-10-4-2)14-8-6-7-9-16(14)20-17/h6-9,18H,3-5,10-13H2,1-2H3.
What are the key properties of N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine?
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62449528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).