2-[1-(2,3-dihydro-1-benzofuran-5-ylamino)ethyl]-5-methylphenol

C17H19NO2 — CID 43732552

IUPAC2-[1-(2,3-dihydro-1-benzofuran-5-ylamino)ethyl]-5-methylphenol
SMILESCc1ccc(C(C)Nc2ccc3c(c2)CCO3)c(O)c1
InChIInChI=1S/C17H19NO2/c1-11-3-5-15(16(19)9-11)12(2)18-14-4-6-17-13(10-14)7-8-20-17/h3-6,9-10,12,18-19H,7-8H2,1-2H3
InChIKeyZAWSQGROAAVBDH-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.81
Rot. Bonds3

About 2-[1-(2,3-dihydro-1-benzofuran-5-ylamino)ethyl]-5-methylphenol

2-[1-(2,3-dihydro-1-benzofuran-5-ylamino)ethyl]-5-methylphenol (PubChem CID 43732552) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1-benzofuran-5-ylamino)ethyl]-5-methylphenol.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1-benzofuran-5-ylamino)ethyl]-5-methylphenol
PubChem CID43732552
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[1-(2,3-dihydro-1-benzofuran-5-ylamino)ethyl]-5-methylphenol
SMILESCc1ccc(C(C)Nc2ccc3c(c2)CCO3)c(O)c1
InChIInChI=1S/C17H19NO2/c1-11-3-5-15(16(19)9-11)12(2)18-14-4-6-17-13(10-14)7-8-20-17/h3-6,9-10,12,18-19H,7-8H2,1-2H3
InChIKeyZAWSQGROAAVBDH-UHFFFAOYSA-N
XLogP3.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732776
N-[1-(2,3,4-trichlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43788569
N-[1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732693
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 82963206
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
N-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 102613241
2-[1-(3-bromo-4-methylanilino)ethyl]-5-methylphenol
CID 63332922
2-[1-(1,3-benzodioxol-5-ylamino)ethyl]-4-methylphenol
CID 43504704
2-[1-(4-bromo-3-fluoroanilino)ethyl]-5-methylphenol
CID 65435702
4-[1-(2-hydroxy-4-methylphenyl)ethylamino]benzonitrile
CID 43201433
N-[1-(2,4-dimethylphenyl)ethyl]-1,3-benzodioxol-5-amine
CID 43196985
[3-[1-(2-hydroxy-4-methylphenyl)ethylamino]phenyl]urea
CID 43744448

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1-benzofuran-5-ylamino)ethyl]-5-methylphenol?
The IUPAC name of 2-[1-(2,3-dihydro-1-benzofuran-5-ylamino)ethyl]-5-methylphenol (CID 43732552) is 2-[1-(2,3-dihydro-1-benzofuran-5-ylamino)ethyl]-5-methylphenol.
What is the SMILES notation for 2-[1-(2,3-dihydro-1-benzofuran-5-ylamino)ethyl]-5-methylphenol?
The canonical SMILES for 2-[1-(2,3-dihydro-1-benzofuran-5-ylamino)ethyl]-5-methylphenol is Cc1ccc(C(C)Nc2ccc3c(c2)CCO3)c(O)c1.
What is the InChIKey of 2-[1-(2,3-dihydro-1-benzofuran-5-ylamino)ethyl]-5-methylphenol?
The InChIKey is ZAWSQGROAAVBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-3-5-15(16(19)9-11)12(2)18-14-4-6-17-13(10-14)7-8-20-17/h3-6,9-10,12,18-19H,7-8H2,1-2H3.
What are the key properties of 2-[1-(2,3-dihydro-1-benzofuran-5-ylamino)ethyl]-5-methylphenol?
2-[1-(2,3-dihydro-1-benzofuran-5-ylamino)ethyl]-5-methylphenol has a molecular weight of 269.34 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1-benzofuran-5-ylamino)ethyl]-5-methylphenol is sourced from PubChem (CID 43732552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).