1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine

C11H13NO2 — CID 115258609

IUPAC1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine
SMILESCOCNCc1coc2ccccc12
InChIInChI=1S/C11H13NO2/c1-13-8-12-6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12H,6,8H2,1H3
InChIKeyVZGFPJOOMJFEQA-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.13
Rot. Bonds4

About 1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine

1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine (PubChem CID 115258609) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine
PubChem CID115258609
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine
SMILESCOCNCc1coc2ccccc12
InChIInChI=1S/C11H13NO2/c1-13-8-12-6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12H,6,8H2,1H3
InChIKeyVZGFPJOOMJFEQA-UHFFFAOYSA-N
XLogP2.13
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine
CID 78963648
N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine
CID 80700500
N-(1-benzofuran-3-ylmethyl)-3-chloropropan-1-amine
CID 115215675
N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine
CID 113410163
N-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 80701115
N-(1-benzofuran-3-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine
CID 80700524
N-(1-benzofuran-3-ylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103826256
methyl 2-(1-benzofuran-3-ylmethylamino)benzoate
CID 80701199
N-(1-benzofuran-3-ylmethyl)-1-methoxypentan-2-amine
CID 80702779
N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline
CID 80701548
3-(6-methoxyhexyl)-1-benzofuran
CID 67274703
N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine
CID 113287372

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine?
The IUPAC name of 1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine (CID 115258609) is 1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine?
The canonical SMILES for 1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine is COCNCc1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine?
The InChIKey is VZGFPJOOMJFEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-13-8-12-6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12H,6,8H2,1H3.
What are the key properties of 1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine?
1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine has a molecular weight of 191.23 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine is sourced from PubChem (CID 115258609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).