3-(methylamino)-2,3-dihydro-1-benzofuran-7-ol

C9H11NO2 — CID 112546911

IUPAC3-(methylamino)-2,3-dihydro-1-benzofuran-7-ol
SMILESCNC1COc2c(O)cccc21
InChIInChI=1S/C9H11NO2/c1-10-7-5-12-9-6(7)3-2-4-8(9)11/h2-4,7,10-11H,5H2,1H3
InChIKeyZGCCQXVCKGHQSA-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.05
Rot. Bonds1

About 3-(methylamino)-2,3-dihydro-1-benzofuran-7-ol

3-(methylamino)-2,3-dihydro-1-benzofuran-7-ol (PubChem CID 112546911) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-(methylamino)-2,3-dihydro-1-benzofuran-7-ol.

Molecular Properties

Compound Name3-(methylamino)-2,3-dihydro-1-benzofuran-7-ol
PubChem CID112546911
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-(methylamino)-2,3-dihydro-1-benzofuran-7-ol
SMILESCNC1COc2c(O)cccc21
InChIInChI=1S/C9H11NO2/c1-10-7-5-12-9-6(7)3-2-4-8(9)11/h2-4,7,10-11H,5H2,1H3
InChIKeyZGCCQXVCKGHQSA-UHFFFAOYSA-N
XLogP1.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511838
7-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512531
methyl 2-(7-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 91828033
3-(aminomethyl)-4-methyl-3,4-dihydro-2H-chromen-8-ol
CID 115019414
6-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 79982701
N,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512547
7-bromo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 81481939
7-iodo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 43512732
7-iodo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 114287283
(4aR,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
CID 14151659
8-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43511818
7-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511879

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-2,3-dihydro-1-benzofuran-7-ol?
The IUPAC name of 3-(methylamino)-2,3-dihydro-1-benzofuran-7-ol (CID 112546911) is 3-(methylamino)-2,3-dihydro-1-benzofuran-7-ol.
What is the SMILES notation for 3-(methylamino)-2,3-dihydro-1-benzofuran-7-ol?
The canonical SMILES for 3-(methylamino)-2,3-dihydro-1-benzofuran-7-ol is CNC1COc2c(O)cccc21.
What is the InChIKey of 3-(methylamino)-2,3-dihydro-1-benzofuran-7-ol?
The InChIKey is ZGCCQXVCKGHQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-10-7-5-12-9-6(7)3-2-4-8(9)11/h2-4,7,10-11H,5H2,1H3.
What are the key properties of 3-(methylamino)-2,3-dihydro-1-benzofuran-7-ol?
3-(methylamino)-2,3-dihydro-1-benzofuran-7-ol has a molecular weight of 165.19 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-2,3-dihydro-1-benzofuran-7-ol is sourced from PubChem (CID 112546911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).