2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]-6-ethoxyphenol

C17H19NO3 — CID 63378670

IUPAC2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CNC2COc3ccccc32)c1O
InChIInChI=1S/C17H19NO3/c1-2-20-16-9-5-6-12(17(16)19)10-18-14-11-21-15-8-4-3-7-13(14)15/h3-9,14,18-19H,2,10-11H2,1H3
InChIKeyMQXASKIQGZAYBW-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.01
Rot. Bonds5

About 2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]-6-ethoxyphenol

2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]-6-ethoxyphenol (PubChem CID 63378670) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]-6-ethoxyphenol
PubChem CID63378670
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CNC2COc3ccccc32)c1O
InChIInChI=1S/C17H19NO3/c1-2-20-16-9-5-6-12(17(16)19)10-18-14-11-21-15-8-4-3-7-13(14)15/h3-9,14,18-19H,2,10-11H2,1H3
InChIKeyMQXASKIQGZAYBW-UHFFFAOYSA-N
XLogP3.01
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 79883117
4-chloro-2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenol
CID 63378435
N-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378994
2-[[2-(dimethylamino)anilino]methyl]-6-ethoxyphenol
CID 43726584
2-ethoxy-6-[(thian-3-ylamino)methyl]phenol
CID 115676111
2-[[(2,2-dimethylcyclohexyl)amino]methyl]-6-ethoxyphenol
CID 79861425
2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol
CID 107597220
2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol
CID 65039266
2-ethoxy-6-[(2-methoxyethoxyamino)methyl]phenol
CID 82715781
2-[[2-(dimethylamino)propylamino]methyl]-6-ethoxyphenol
CID 54913244
3-[(3-ethoxy-2-hydroxyphenyl)methylamino]propane-1,2-diol
CID 66174868
2-ethoxy-6-[(1-phenylethylamino)methyl]phenol
CID 43189900

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]-6-ethoxyphenol?
The IUPAC name of 2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]-6-ethoxyphenol (CID 63378670) is 2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]-6-ethoxyphenol.
What is the SMILES notation for 2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]-6-ethoxyphenol?
The canonical SMILES for 2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]-6-ethoxyphenol is CCOc1cccc(CNC2COc3ccccc32)c1O.
What is the InChIKey of 2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]-6-ethoxyphenol?
The InChIKey is MQXASKIQGZAYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-20-16-9-5-6-12(17(16)19)10-18-14-11-21-15-8-4-3-7-13(14)15/h3-9,14,18-19H,2,10-11H2,1H3.
What are the key properties of 2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]-6-ethoxyphenol?
2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]-6-ethoxyphenol has a molecular weight of 285.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]-6-ethoxyphenol is sourced from PubChem (CID 63378670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).