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

C17H23NO2 — CID 62450257

IUPACN-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine
SMILESCCCCOCc1oc2ccccc2c1CNC1CC1
InChIInChI=1S/C17H23NO2/c1-2-3-10-19-12-17-15(11-18-13-8-9-13)14-6-4-5-7-16(14)20-17/h4-7,13,18H,2-3,8-12H2,1H3
InChIKeyIYPOCUACJIOROL-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.00
Rot. Bonds8

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

N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine (PubChem CID 62450257) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine
PubChem CID62450257
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine
SMILESCCCCOCc1oc2ccccc2c1CNC1CC1
InChIInChI=1S/C17H23NO2/c1-2-3-10-19-12-17-15(11-18-13-8-9-13)14-6-4-5-7-16(14)20-17/h4-7,13,18H,2-3,8-12H2,1H3
InChIKeyIYPOCUACJIOROL-UHFFFAOYSA-N
XLogP4.00
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62449900
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62449528
N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine
CID 43226088
N-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62445692
N-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62449526
N-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 63685145
[3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62456387
N-[[2-(3-methoxypropoxymethyl)-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62441095
N-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine
CID 106449873
N-[[2-(cyclobutyloxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62441049
[3-(octoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457211
N-[[2-(but-3-enoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62443231

Frequently Asked Questions

What is the IUPAC name of N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine (CID 62450257) is N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine is CCCCOCc1oc2ccccc2c1CNC1CC1.
What is the InChIKey of N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine?
The InChIKey is IYPOCUACJIOROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-3-10-19-12-17-15(11-18-13-8-9-13)14-6-4-5-7-16(14)20-17/h4-7,13,18H,2-3,8-12H2,1H3.
What are the key properties of N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine?
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine has a molecular weight of 273.38 g/mol, XLogP of 4.00, 8 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]cyclopropanamine is sourced from PubChem (CID 62450257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).