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

C16H23NO3 — CID 111439493

IUPAC2-[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]ethoxy]ethanol
SMILESCCc1oc2ccccc2c1CN(C)CCOCCO
InChIInChI=1S/C16H23NO3/c1-3-15-14(12-17(2)8-10-19-11-9-18)13-6-4-5-7-16(13)20-15/h4-7,18H,3,8-12H2,1-2H3
InChIKeyNDBYPZWGGWMLQH-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.44
Rot. Bonds8

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

2-[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]ethoxy]ethanol (PubChem CID 111439493) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]ethoxy]ethanol
PubChem CID111439493
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]ethoxy]ethanol
SMILESCCc1oc2ccccc2c1CN(C)CCOCCO
InChIInChI=1S/C16H23NO3/c1-3-15-14(12-17(2)8-10-19-11-9-18)13-6-4-5-7-16(13)20-15/h4-7,18H,3,8-12H2,1-2H3
InChIKeyNDBYPZWGGWMLQH-UHFFFAOYSA-N
XLogP2.44
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide
CID 78826569
2-(benzenesulfonyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylethanamine
CID 78819087
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 63009384
3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride
CID 119273988
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119694657
5-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
CID 84593385
2-[2-[[(2-ethyl-1-benzofuran-3-yl)methylamino]methyl]phenoxy]ethanol
CID 111457839
N-(2-cyanopropyl)-N-ethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide
CID 78899492
N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine
CID 62418759
2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]-1-(4-methylsulfonylphenyl)ethanol
CID 154774645
2-(cyclopropylmethylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylacetamide;hydrochloride
CID 119694665
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 115987741

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]ethoxy]ethanol (CID 111439493) is 2-[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]ethoxy]ethanol is CCc1oc2ccccc2c1CN(C)CCOCCO.
What is the InChIKey of 2-[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]ethoxy]ethanol?
The InChIKey is NDBYPZWGGWMLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-15-14(12-17(2)8-10-19-11-9-18)13-6-4-5-7-16(13)20-15/h4-7,18H,3,8-12H2,1-2H3.
What are the key properties of 2-[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]ethoxy]ethanol?
2-[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]ethoxy]ethanol has a molecular weight of 277.36 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 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)methyl-methylamino]ethoxy]ethanol is sourced from PubChem (CID 111439493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).