4-[1-(1-benzothiophen-2-yl)ethylamino]-2,6-dichlorophenol

C16H13Cl2NOS — CID 107678990

IUPAC4-[1-(1-benzothiophen-2-yl)ethylamino]-2,6-dichlorophenol
SMILESCC(Nc1cc(Cl)c(O)c(Cl)c1)c1cc2ccccc2s1
InChIInChI=1S/C16H13Cl2NOS/c1-9(15-6-10-4-2-3-5-14(10)21-15)19-11-7-12(17)16(20)13(18)8-11/h2-9,19-20H,1H3
InChIKeySZTWAIXXJICECU-UHFFFAOYSA-N
MW338.26 g/mol
LogP6.09
Rot. Bonds3

About 4-[1-(1-benzothiophen-2-yl)ethylamino]-2,6-dichlorophenol

4-[1-(1-benzothiophen-2-yl)ethylamino]-2,6-dichlorophenol (PubChem CID 107678990) has the molecular formula C16H13Cl2NOS and a molecular weight of 338.26 g/mol. Its IUPAC name is 4-[1-(1-benzothiophen-2-yl)ethylamino]-2,6-dichlorophenol.

Molecular Properties

Compound Name4-[1-(1-benzothiophen-2-yl)ethylamino]-2,6-dichlorophenol
PubChem CID107678990
Molecular FormulaC16H13Cl2NOS
Molecular Weight338.26 g/mol
Exact Mass337.01
IUPAC Name4-[1-(1-benzothiophen-2-yl)ethylamino]-2,6-dichlorophenol
SMILESCC(Nc1cc(Cl)c(O)c(Cl)c1)c1cc2ccccc2s1
InChIInChI=1S/C16H13Cl2NOS/c1-9(15-6-10-4-2-3-5-14(10)21-15)19-11-7-12(17)16(20)13(18)8-11/h2-9,19-20H,1H3
InChIKeySZTWAIXXJICECU-UHFFFAOYSA-N
XLogP6.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.26
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[1-(1-benzothiophen-2-yl)ethylamino]-2,6-dichlorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1-benzothiophen-2-yl)ethyl]-3-chloro-4-methylaniline
CID 114909572
4-[1-(1-benzothiophen-2-yl)ethylamino]-2-chlorobenzonitrile
CID 114909699
N-[1-(1-benzothiophen-2-yl)ethyl]-2,3-dichloroaniline
CID 114909675
N-[1-(1-benzothiophen-2-yl)ethyl]-2,4-dichloroaniline
CID 114909583
N-[1-(1-benzothiophen-2-yl)ethyl]-4-methoxyaniline
CID 114909636
N-[1-(1-benzothiophen-2-yl)ethyl]-4-bromo-2-chloroaniline
CID 114909697
N-[1-(1-benzothiophen-2-yl)ethyl]-3-iodo-4-methylaniline
CID 114909749
N-[1-(1-benzothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 114909599
N-[1-(1-benzothiophen-2-yl)ethyl]-2,4,6-trimethylaniline
CID 114909796
2-[1-(1-benzothiophen-2-yl)ethylamino]benzoic acid
CID 114909694
N-[1-(1-benzothiophen-2-yl)ethyl]-4-bromo-3-methoxyaniline
CID 114910028
1-(1-benzothiophen-2-yl)-N-methoxyethanamine
CID 114910021

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-benzothiophen-2-yl)ethylamino]-2,6-dichlorophenol?
The IUPAC name of 4-[1-(1-benzothiophen-2-yl)ethylamino]-2,6-dichlorophenol (CID 107678990) is 4-[1-(1-benzothiophen-2-yl)ethylamino]-2,6-dichlorophenol.
What is the SMILES notation for 4-[1-(1-benzothiophen-2-yl)ethylamino]-2,6-dichlorophenol?
The canonical SMILES for 4-[1-(1-benzothiophen-2-yl)ethylamino]-2,6-dichlorophenol is CC(Nc1cc(Cl)c(O)c(Cl)c1)c1cc2ccccc2s1.
What is the InChIKey of 4-[1-(1-benzothiophen-2-yl)ethylamino]-2,6-dichlorophenol?
The InChIKey is SZTWAIXXJICECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NOS/c1-9(15-6-10-4-2-3-5-14(10)21-15)19-11-7-12(17)16(20)13(18)8-11/h2-9,19-20H,1H3.
What are the key properties of 4-[1-(1-benzothiophen-2-yl)ethylamino]-2,6-dichlorophenol?
4-[1-(1-benzothiophen-2-yl)ethylamino]-2,6-dichlorophenol has a molecular weight of 338.26 g/mol, XLogP of 6.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-benzothiophen-2-yl)ethylamino]-2,6-dichlorophenol is sourced from PubChem (CID 107678990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).