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

C18H27NO2 — CID 102986880

IUPACN-[[3-(pentan-2-yloxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
SMILESCCCC(C)OCc1c(CNC(C)C)oc2ccccc12
InChIInChI=1S/C18H27NO2/c1-5-8-14(4)20-12-16-15-9-6-7-10-17(15)21-18(16)11-19-13(2)3/h6-7,9-10,13-14,19H,5,8,11-12H2,1-4H3
InChIKeyZGJZASIWANNHLJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.64
Rot. Bonds8

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

N-[[3-(pentan-2-yloxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine (PubChem CID 102986880) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[3-(pentan-2-yloxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(pentan-2-yloxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
PubChem CID102986880
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[[3-(pentan-2-yloxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
SMILESCCCC(C)OCc1c(CNC(C)C)oc2ccccc12
InChIInChI=1S/C18H27NO2/c1-5-8-14(4)20-12-16-15-9-6-7-10-17(15)21-18(16)11-19-13(2)3/h6-7,9-10,13-14,19H,5,8,11-12H2,1-4H3
InChIKeyZGJZASIWANNHLJ-UHFFFAOYSA-N
XLogP4.64
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

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Related Compounds

N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62443711
N-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62422951
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1-benzofuran-2-yl]methyl]propan-1-amine
CID 62421228
N-[[2-[2-(dimethylamino)ethoxymethyl]-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62458588
N-[[2-(3-methoxypropoxymethyl)-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62441095
N-[[3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55073016
N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62423547
[3-(2-methylpentoxymethyl)-1-benzofuran-2-yl]methanamine
CID 103285698
N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457094
N-[[3-[(4-bromopyrazol-1-yl)methyl]-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62441337
2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62451511
3-(methoxymethyl)-2-propyl-1-benzofuran
CID 101375007

Frequently Asked Questions

What is the IUPAC name of N-[[3-(pentan-2-yloxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(pentan-2-yloxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine (CID 102986880) is N-[[3-(pentan-2-yloxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(pentan-2-yloxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(pentan-2-yloxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine is CCCC(C)OCc1c(CNC(C)C)oc2ccccc12.
What is the InChIKey of N-[[3-(pentan-2-yloxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine?
The InChIKey is ZGJZASIWANNHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-5-8-14(4)20-12-16-15-9-6-7-10-17(15)21-18(16)11-19-13(2)3/h6-7,9-10,13-14,19H,5,8,11-12H2,1-4H3.
What are the key properties of N-[[3-(pentan-2-yloxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine?
N-[[3-(pentan-2-yloxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(pentan-2-yloxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 102986880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).