2-[2-[[(2-ethyl-1-benzofuran-3-yl)methylamino]methyl]phenoxy]ethanol

C20H23NO3 — CID 111457839

IUPAC2-[2-[[(2-ethyl-1-benzofuran-3-yl)methylamino]methyl]phenoxy]ethanol
SMILESCCc1oc2ccccc2c1CNCc1ccccc1OCCO
InChIInChI=1S/C20H23NO3/c1-2-18-17(16-8-4-6-10-20(16)24-18)14-21-13-15-7-3-5-9-19(15)23-12-11-22/h3-10,21-22H,2,11-14H2,1H3
InChIKeyYTLUNYLSIJLAQM-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.66
Rot. Bonds8

About 2-[2-[[(2-ethyl-1-benzofuran-3-yl)methylamino]methyl]phenoxy]ethanol

2-[2-[[(2-ethyl-1-benzofuran-3-yl)methylamino]methyl]phenoxy]ethanol (PubChem CID 111457839) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[2-[[(2-ethyl-1-benzofuran-3-yl)methylamino]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[(2-ethyl-1-benzofuran-3-yl)methylamino]methyl]phenoxy]ethanol
PubChem CID111457839
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-[2-[[(2-ethyl-1-benzofuran-3-yl)methylamino]methyl]phenoxy]ethanol
SMILESCCc1oc2ccccc2c1CNCc1ccccc1OCCO
InChIInChI=1S/C20H23NO3/c1-2-18-17(16-8-4-6-10-20(16)24-18)14-21-13-15-7-3-5-9-19(15)23-12-11-22/h3-10,21-22H,2,11-14H2,1H3
InChIKeyYTLUNYLSIJLAQM-UHFFFAOYSA-N
XLogP3.66
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[(2-ethyl-1-benzofuran-3-yl)methylamino]methyl]phenoxy]ethanol with MolForge

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Related Compounds

1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
CID 43226104
1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine
CID 43226082
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739
N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
CID 43226064
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol
CID 78997742
2-[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]ethoxy]ethanol
CID 111439493
2-[2-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]ethanol
CID 111457798
(2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 114986912
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 79492984
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol
CID 115644591
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 106349047
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2-ethyl-1-benzofuran-3-yl)methylamino]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-[[(2-ethyl-1-benzofuran-3-yl)methylamino]methyl]phenoxy]ethanol (CID 111457839) is 2-[2-[[(2-ethyl-1-benzofuran-3-yl)methylamino]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[[(2-ethyl-1-benzofuran-3-yl)methylamino]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[[(2-ethyl-1-benzofuran-3-yl)methylamino]methyl]phenoxy]ethanol is CCc1oc2ccccc2c1CNCc1ccccc1OCCO.
What is the InChIKey of 2-[2-[[(2-ethyl-1-benzofuran-3-yl)methylamino]methyl]phenoxy]ethanol?
The InChIKey is YTLUNYLSIJLAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-2-18-17(16-8-4-6-10-20(16)24-18)14-21-13-15-7-3-5-9-19(15)23-12-11-22/h3-10,21-22H,2,11-14H2,1H3.
What are the key properties of 2-[2-[[(2-ethyl-1-benzofuran-3-yl)methylamino]methyl]phenoxy]ethanol?
2-[2-[[(2-ethyl-1-benzofuran-3-yl)methylamino]methyl]phenoxy]ethanol has a molecular weight of 325.41 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2-ethyl-1-benzofuran-3-yl)methylamino]methyl]phenoxy]ethanol is sourced from PubChem (CID 111457839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).