1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-(methylamino)ethanol

C13H16ClNO3 — CID 117427462

IUPAC1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(OC)c2oc(C)cc2c1Cl
InChIInChI=1S/C13H16ClNO3/c1-7-4-9-12(14)8(10(16)6-15-2)5-11(17-3)13(9)18-7/h4-5,10,15-16H,6H2,1-3H3
InChIKeyJRDOZZHFBGIWII-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.66
Rot. Bonds4

About 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-(methylamino)ethanol

1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-(methylamino)ethanol (PubChem CID 117427462) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-(methylamino)ethanol
PubChem CID117427462
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(OC)c2oc(C)cc2c1Cl
InChIInChI=1S/C13H16ClNO3/c1-7-4-9-12(14)8(10(16)6-15-2)5-11(17-3)13(9)18-7/h4-5,10,15-16H,6H2,1-3H3
InChIKeyJRDOZZHFBGIWII-UHFFFAOYSA-N
XLogP2.66
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)ethanol
CID 117354046
methyl 2-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-hydroxyacetate
CID 117458145
4-amino-4-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)butanoic acid
CID 117479325
N-[(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)methyl]hydroxylamine
CID 117356135
1-(2,5-dimethoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 112514039
1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117398229
1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117386619
1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 84782753
1-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanol
CID 117381815
1-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanol
CID 117417580
1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol
CID 117397134
5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol
CID 117301897

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-(methylamino)ethanol?
The IUPAC name of 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-(methylamino)ethanol (CID 117427462) is 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-(methylamino)ethanol is CNCC(O)c1cc(OC)c2oc(C)cc2c1Cl.
What is the InChIKey of 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-(methylamino)ethanol?
The InChIKey is JRDOZZHFBGIWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-7-4-9-12(14)8(10(16)6-15-2)5-11(17-3)13(9)18-7/h4-5,10,15-16H,6H2,1-3H3.
What are the key properties of 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-(methylamino)ethanol?
1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-(methylamino)ethanol has a molecular weight of 269.73 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 117427462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).