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

C18H25NO2 — CID 62443187

IUPACN-[[3-(cyclobutyloxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1oc2ccccc2c1COC1CCC1
InChIInChI=1S/C18H25NO2/c1-18(2,3)19-11-17-15(12-20-13-7-6-8-13)14-9-4-5-10-16(14)21-17/h4-5,9-10,13,19H,6-8,11-12H2,1-3H3
InChIKeyULGCREYIRWBQOJ-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.39
Rot. Bonds5

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

N-[[3-(cyclobutyloxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62443187) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[[3-(cyclobutyloxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(cyclobutyloxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62443187
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[[3-(cyclobutyloxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1oc2ccccc2c1COC1CCC1
InChIInChI=1S/C18H25NO2/c1-18(2,3)19-11-17-15(12-20-13-7-6-8-13)14-9-4-5-10-16(14)21-17/h4-5,9-10,13,19H,6-8,11-12H2,1-3H3
InChIKeyULGCREYIRWBQOJ-UHFFFAOYSA-N
XLogP4.39
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62449526
2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62451511
1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62444638
1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62459494
N-[[2-(cyclobutyloxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62441049
N-[[2-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 62446327
N-[[3-(diethylaminomethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62438293
N-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
CID 62443561
N-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62445692
N-[[3-(cyclopentyloxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 55072771
N-[[5-(cyclopentyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62444441
2-(cyclobutyloxymethyl)-1-benzofuran-3-carbohydrazide
CID 63569299

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclobutyloxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(cyclobutyloxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine (CID 62443187) is N-[[3-(cyclobutyloxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(cyclobutyloxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(cyclobutyloxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1oc2ccccc2c1COC1CCC1.
What is the InChIKey of N-[[3-(cyclobutyloxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ULGCREYIRWBQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-18(2,3)19-11-17-15(12-20-13-7-6-8-13)14-9-4-5-10-16(14)21-17/h4-5,9-10,13,19H,6-8,11-12H2,1-3H3.
What are the key properties of N-[[3-(cyclobutyloxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(cyclobutyloxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 287.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclobutyloxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62443187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).