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

C18H25NO2 — CID 62449900

IUPACN-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
SMILESCCCCCOCc1c(CNC2CC2)oc2ccccc12
InChIInChI=1S/C18H25NO2/c1-2-3-6-11-20-13-16-15-7-4-5-8-17(15)21-18(16)12-19-14-9-10-14/h4-5,7-8,14,19H,2-3,6,9-13H2,1H3
InChIKeyUSAYLSGXYODJKX-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.39
Rot. Bonds9

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

N-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine (PubChem CID 62449900) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
PubChem CID62449900
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
SMILESCCCCCOCc1c(CNC2CC2)oc2ccccc12
InChIInChI=1S/C18H25NO2/c1-2-3-6-11-20-13-16-15-7-4-5-8-17(15)21-18(16)12-19-14-9-10-14/h4-5,7-8,14,19H,2-3,6,9-13H2,1H3
InChIKeyUSAYLSGXYODJKX-UHFFFAOYSA-N
XLogP4.39
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62450257
N-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62445692
[3-(octoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457211
N-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62449526
[3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62456387
2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62451511
N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine
CID 62450085
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62449528
N-[[3-(hexoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62455337
N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62457612
N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine
CID 43226088
N-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114375292

Frequently Asked Questions

What is the IUPAC name of N-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine (CID 62449900) is N-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine is CCCCCOCc1c(CNC2CC2)oc2ccccc12.
What is the InChIKey of N-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine?
The InChIKey is USAYLSGXYODJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-3-6-11-20-13-16-15-7-4-5-8-17(15)21-18(16)12-19-14-9-10-14/h4-5,7-8,14,19H,2-3,6,9-13H2,1H3.
What are the key properties of N-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine?
N-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine has a molecular weight of 287.40 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62449900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).