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

C18H27NO2 — CID 62449526

IUPACN-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCCCOCc1c(CNC(C)(C)C)oc2ccccc12
InChIInChI=1S/C18H27NO2/c1-5-6-11-20-13-15-14-9-7-8-10-16(14)21-17(15)12-19-18(2,3)4/h7-10,19H,5-6,11-13H2,1-4H3
InChIKeyOYSRYBCWKFCZBK-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.64
Rot. Bonds7

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

N-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62449526) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62449526
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCCCOCc1c(CNC(C)(C)C)oc2ccccc12
InChIInChI=1S/C18H27NO2/c1-5-6-11-20-13-15-14-9-7-8-10-16(14)21-17(15)12-19-18(2,3)4/h7-10,19H,5-6,11-13H2,1-4H3
InChIKeyOYSRYBCWKFCZBK-UHFFFAOYSA-N
XLogP4.64
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.64
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

2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62451511
N-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62449900
[3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62456387
N-[[3-(cyclobutyloxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62443187
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62449528
[3-(octoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457211
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62450257
N-[[3-(diethylaminomethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62438293
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine
CID 106328362
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine
CID 43392217
N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62443711
N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457094

Frequently Asked Questions

What is the IUPAC name of N-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine (CID 62449526) is N-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine is CCCCOCc1c(CNC(C)(C)C)oc2ccccc12.
What is the InChIKey of N-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is OYSRYBCWKFCZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-5-6-11-20-13-15-14-9-7-8-10-16(14)21-17(15)12-19-18(2,3)4/h7-10,19H,5-6,11-13H2,1-4H3.
What are the key properties of N-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62449526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).