3-[3-(methylamino)propyl]-1-benzofuran-6-ol

C12H15NO2 — CID 117196360

IUPAC3-[3-(methylamino)propyl]-1-benzofuran-6-ol
SMILESCNCCCc1coc2cc(O)ccc12
InChIInChI=1S/C12H15NO2/c1-13-6-2-3-9-8-15-12-7-10(14)4-5-11(9)12/h4-5,7-8,13-14H,2-3,6H2,1H3
InChIKeyHSSXICQJIUTJHO-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.29
Rot. Bonds4

About 3-[3-(methylamino)propyl]-1-benzofuran-6-ol

3-[3-(methylamino)propyl]-1-benzofuran-6-ol (PubChem CID 117196360) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-[3-(methylamino)propyl]-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[3-(methylamino)propyl]-1-benzofuran-6-ol
PubChem CID117196360
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-[3-(methylamino)propyl]-1-benzofuran-6-ol
SMILESCNCCCc1coc2cc(O)ccc12
InChIInChI=1S/C12H15NO2/c1-13-6-2-3-9-8-15-12-7-10(14)4-5-11(9)12/h4-5,7-8,13-14H,2-3,6H2,1H3
InChIKeyHSSXICQJIUTJHO-UHFFFAOYSA-N
XLogP2.29
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-dimethylpropyl)-1-benzofuran-6-ol
CID 22459006
3-(2-hydroxy-2-methylpropyl)-1-benzofuran-6-ol
CID 117121794
2-(6-hydroxy-1-benzofuran-3-yl)acetohydrazide
CID 165437933
4-methoxy-3-[3-(methylamino)propyl]phenol
CID 84733265
3-(7-bromo-1-benzofuran-3-yl)-N-methylpropan-1-amine
CID 117197482
7-hydroxy-3-[(4-methylphenyl)methyl]chromen-4-one
CID 175976298
3-(7-fluoro-1-benzofuran-3-yl)-N-methylpropan-1-amine
CID 117197480
3-[3-(methylamino)propyl]-2,1-benzoxazol-5-ol
CID 105458935
3-(piperazin-1-ylmethyl)-1-benzofuran-6-ol
CID 117177562
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415531
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-methylethanamine
CID 81048813
3-[(4-tert-butylphenyl)methyl]-7-hydroxychromen-4-one
CID 142717412

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylamino)propyl]-1-benzofuran-6-ol?
The IUPAC name of 3-[3-(methylamino)propyl]-1-benzofuran-6-ol (CID 117196360) is 3-[3-(methylamino)propyl]-1-benzofuran-6-ol.
What is the SMILES notation for 3-[3-(methylamino)propyl]-1-benzofuran-6-ol?
The canonical SMILES for 3-[3-(methylamino)propyl]-1-benzofuran-6-ol is CNCCCc1coc2cc(O)ccc12.
What is the InChIKey of 3-[3-(methylamino)propyl]-1-benzofuran-6-ol?
The InChIKey is HSSXICQJIUTJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13-6-2-3-9-8-15-12-7-10(14)4-5-11(9)12/h4-5,7-8,13-14H,2-3,6H2,1H3.
What are the key properties of 3-[3-(methylamino)propyl]-1-benzofuran-6-ol?
3-[3-(methylamino)propyl]-1-benzofuran-6-ol has a molecular weight of 205.26 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylamino)propyl]-1-benzofuran-6-ol is sourced from PubChem (CID 117196360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).