2,6-dichloro-4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]phenol

C16H15Cl2NO2 — CID 107678862

IUPAC2,6-dichloro-4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]phenol
SMILESCC(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H15Cl2NO2/c1-9(10-2-3-15-11(6-10)4-5-21-15)19-12-7-13(17)16(20)14(18)8-12/h2-3,6-9,19-20H,4-5H2,1H3
InChIKeyRUKVQBIRATZUIB-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.81
Rot. Bonds3

About 2,6-dichloro-4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]phenol

2,6-dichloro-4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]phenol (PubChem CID 107678862) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 2,6-dichloro-4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]phenol
PubChem CID107678862
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name2,6-dichloro-4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]phenol
SMILESCC(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H15Cl2NO2/c1-9(10-2-3-15-11(6-10)4-5-21-15)19-12-7-13(17)16(20)14(18)8-12/h2-3,6-9,19-20H,4-5H2,1H3
InChIKeyRUKVQBIRATZUIB-UHFFFAOYSA-N
XLogP4.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43782617
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodoaniline
CID 43773391
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine
CID 43756711
4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine
CID 83167004
4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylaniline
CID 43766595
4-bromo-2,3-dichloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]aniline
CID 107787470
N-[1-(2,4-dichlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732776
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylpentan-2-amine
CID 43775759
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648489
2,4,6-tribromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]aniline
CID 43773640
4-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methoxyaniline
CID 82859890
3,4-dichloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]aniline
CID 43096444

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]phenol?
The IUPAC name of 2,6-dichloro-4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]phenol (CID 107678862) is 2,6-dichloro-4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]phenol.
What is the SMILES notation for 2,6-dichloro-4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]phenol?
The canonical SMILES for 2,6-dichloro-4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]phenol is CC(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc2c(c1)CCO2.
What is the InChIKey of 2,6-dichloro-4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]phenol?
The InChIKey is RUKVQBIRATZUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-9(10-2-3-15-11(6-10)4-5-21-15)19-12-7-13(17)16(20)14(18)8-12/h2-3,6-9,19-20H,4-5H2,1H3.
What are the key properties of 2,6-dichloro-4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]phenol?
2,6-dichloro-4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]phenol has a molecular weight of 324.21 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]phenol is sourced from PubChem (CID 107678862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).