2-amino-1-(2,6-dimethylfuro[2,3-f][1]benzofuran-4-yl)ethanol

C14H15NO3 — CID 117364773

IUPAC2-amino-1-(2,6-dimethylfuro[2,3-f][1]benzofuran-4-yl)ethanol
SMILESCc1cc2c(C(O)CN)c3oc(C)cc3cc2o1
InChIInChI=1S/C14H15NO3/c1-7-3-9-5-12-10(4-8(2)17-12)13(11(16)6-15)14(9)18-7/h3-5,11,16H,6,15H2,1-2H3
InChIKeyLBNGVYPMLMZQDW-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.79
Rot. Bonds2

About 2-amino-1-(2,6-dimethylfuro[2,3-f][1]benzofuran-4-yl)ethanol

2-amino-1-(2,6-dimethylfuro[2,3-f][1]benzofuran-4-yl)ethanol (PubChem CID 117364773) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-amino-1-(2,6-dimethylfuro[2,3-f][1]benzofuran-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2,6-dimethylfuro[2,3-f][1]benzofuran-4-yl)ethanol
PubChem CID117364773
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-amino-1-(2,6-dimethylfuro[2,3-f][1]benzofuran-4-yl)ethanol
SMILESCc1cc2c(C(O)CN)c3oc(C)cc3cc2o1
InChIInChI=1S/C14H15NO3/c1-7-3-9-5-12-10(4-8(2)17-12)13(11(16)6-15)14(9)18-7/h3-5,11,16H,6,15H2,1-2H3
InChIKeyLBNGVYPMLMZQDW-UHFFFAOYSA-N
XLogP2.79
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethylfuro[2,3-f][1]benzofuran-4-carboxylic acid
CID 115010460
2-(2,6-dimethylfuro[2,3-f][1]benzofuran-4-yl)propan-2-ol
CID 117362531
6-(2-amino-1-hydroxyethyl)-4-chloro-2-methyl-1-benzofuran-7-ol
CID 83899131
2,6-dimethylfuro[2,3-f][1]benzofuran-4-carbonitrile
CID 117301191
2,6-dimethyl-1-benzofuran-4-ol
CID 19767041
2-amino-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)ethanol
CID 117401768
1-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propan-2-ol
CID 115010389
7-butan-2-yl-5-(7-butan-2-yl-2-methyl-1-benzofuran-5-yl)-2-methyl-1-benzofuran
CID 102449944
2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol
CID 82493660
2-amino-2-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)acetic acid
CID 117473814
2-amino-1-(5-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol
CID 83903514
2-amino-1-(4-chloro-2-methyl-1,3-benzoxazol-6-yl)ethanol
CID 22021331

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,6-dimethylfuro[2,3-f][1]benzofuran-4-yl)ethanol?
The IUPAC name of 2-amino-1-(2,6-dimethylfuro[2,3-f][1]benzofuran-4-yl)ethanol (CID 117364773) is 2-amino-1-(2,6-dimethylfuro[2,3-f][1]benzofuran-4-yl)ethanol.
What is the SMILES notation for 2-amino-1-(2,6-dimethylfuro[2,3-f][1]benzofuran-4-yl)ethanol?
The canonical SMILES for 2-amino-1-(2,6-dimethylfuro[2,3-f][1]benzofuran-4-yl)ethanol is Cc1cc2c(C(O)CN)c3oc(C)cc3cc2o1.
What is the InChIKey of 2-amino-1-(2,6-dimethylfuro[2,3-f][1]benzofuran-4-yl)ethanol?
The InChIKey is LBNGVYPMLMZQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-7-3-9-5-12-10(4-8(2)17-12)13(11(16)6-15)14(9)18-7/h3-5,11,16H,6,15H2,1-2H3.
What are the key properties of 2-amino-1-(2,6-dimethylfuro[2,3-f][1]benzofuran-4-yl)ethanol?
2-amino-1-(2,6-dimethylfuro[2,3-f][1]benzofuran-4-yl)ethanol has a molecular weight of 245.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,6-dimethylfuro[2,3-f][1]benzofuran-4-yl)ethanol is sourced from PubChem (CID 117364773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).