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

C17H23NO2 — CID 62441049

IUPACN-[[2-(cyclobutyloxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
SMILESCCCNCc1c(COC2CCC2)oc2ccccc12
InChIInChI=1S/C17H23NO2/c1-2-10-18-11-15-14-8-3-4-9-16(14)20-17(15)12-19-13-6-5-7-13/h3-4,8-9,13,18H,2,5-7,10-12H2,1H3
InChIKeyYPOKDZJQNVSZHJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.00
Rot. Bonds7

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

N-[[2-(cyclobutyloxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine (PubChem CID 62441049) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[2-(cyclobutyloxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(cyclobutyloxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
PubChem CID62441049
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[[2-(cyclobutyloxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
SMILESCCCNCc1c(COC2CCC2)oc2ccccc12
InChIInChI=1S/C17H23NO2/c1-2-10-18-11-15-14-8-3-4-9-16(14)20-17(15)12-19-13-6-5-7-13/h3-4,8-9,13,18H,2,5-7,10-12H2,1H3
InChIKeyYPOKDZJQNVSZHJ-UHFFFAOYSA-N
XLogP4.00
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.00
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-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 62446327
1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62444638
1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62459494
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62449528
N-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
CID 62443561
N-[[2-(oxolan-3-yloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 63556330
N-[[3-(cyclobutyloxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62443187
N-[[2-(but-3-enoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62443231
1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine
CID 43226082
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62450257
N-methyl-1-[2-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
CID 62443571
N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
CID 43226064

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclobutyloxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(cyclobutyloxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine (CID 62441049) is N-[[2-(cyclobutyloxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(cyclobutyloxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(cyclobutyloxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine is CCCNCc1c(COC2CCC2)oc2ccccc12.
What is the InChIKey of N-[[2-(cyclobutyloxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine?
The InChIKey is YPOKDZJQNVSZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-10-18-11-15-14-8-3-4-9-16(14)20-17(15)12-19-13-6-5-7-13/h3-4,8-9,13,18H,2,5-7,10-12H2,1H3.
What are the key properties of N-[[2-(cyclobutyloxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine?
N-[[2-(cyclobutyloxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclobutyloxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62441049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).