1-benzofuran-3-yl(methoxy)methanamine

C10H11NO2 — CID 116947357

IUPAC1-benzofuran-3-yl(methoxy)methanamine
SMILESCOC(N)c1coc2ccccc12
InChIInChI=1S/C10H11NO2/c1-12-10(11)8-6-13-9-5-3-2-4-7(8)9/h2-6,10H,11H2,1H3
InChIKeyBNMFDUDLFSUFGL-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.04
Rot. Bonds2

About 1-benzofuran-3-yl(methoxy)methanamine

1-benzofuran-3-yl(methoxy)methanamine (PubChem CID 116947357) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 1-benzofuran-3-yl(methoxy)methanamine.

Molecular Properties

Compound Name1-benzofuran-3-yl(methoxy)methanamine
PubChem CID116947357
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name1-benzofuran-3-yl(methoxy)methanamine
SMILESCOC(N)c1coc2ccccc12
InChIInChI=1S/C10H11NO2/c1-12-10(11)8-6-13-9-5-3-2-4-7(8)9/h2-6,10H,11H2,1H3
InChIKeyBNMFDUDLFSUFGL-UHFFFAOYSA-N
XLogP2.04
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzofuran-3-yl(chloro)methanamine
CID 116947842
2-amino-3-(1-benzofuran-3-yl)-3-(methylamino)propanoic acid
CID 116957427
1-amino-1-(1-benzofuran-3-yl)propan-2-one
CID 55273195
(1S)-1-(1-benzofuran-3-yl)pentan-1-amine
CID 165356907
methyl 1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylate
CID 116944424
1-(1-benzofuran-3-yl)-3-methylbutane-1,4-diamine
CID 116934253
4-amino-4-(1-benzofuran-3-yl)butan-2-one
CID 116940622
lithium;3-(1-fluoroethyl)-1-benzofuran;hydride
CID 175140613
1-(1-benzofuran-3-yl)-N,N-dimethylethanamine
CID 116914687
2-(1-benzofuran-3-yl)-3-methylbutanenitrile
CID 116964671
2-amino-2-(1-benzofuran-3-yl)-N-methylacetohydrazide
CID 116849007
3-benzhydryl-1-benzofuran
CID 53493031

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl(methoxy)methanamine?
The IUPAC name of 1-benzofuran-3-yl(methoxy)methanamine (CID 116947357) is 1-benzofuran-3-yl(methoxy)methanamine.
What is the SMILES notation for 1-benzofuran-3-yl(methoxy)methanamine?
The canonical SMILES for 1-benzofuran-3-yl(methoxy)methanamine is COC(N)c1coc2ccccc12.
What is the InChIKey of 1-benzofuran-3-yl(methoxy)methanamine?
The InChIKey is BNMFDUDLFSUFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-12-10(11)8-6-13-9-5-3-2-4-7(8)9/h2-6,10H,11H2,1H3.
What are the key properties of 1-benzofuran-3-yl(methoxy)methanamine?
1-benzofuran-3-yl(methoxy)methanamine has a molecular weight of 177.20 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-yl(methoxy)methanamine is sourced from PubChem (CID 116947357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).