2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol

C10H16ClNOS — CID 115216508

IUPAC2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol
SMILESCC(C)(CNCCO)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-10(2,7-12-5-6-13)8-3-4-9(11)14-8/h3-4,12-13H,5-7H2,1-2H3
InChIKeyDTDXBQUDEQLDRO-UHFFFAOYSA-N
MW233.76 g/mol
LogP2.26
Rot. Bonds5

About 2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol

2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol (PubChem CID 115216508) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol
PubChem CID115216508
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol
SMILESCC(C)(CNCCO)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-10(2,7-12-5-6-13)8-3-4-9(11)14-8/h3-4,12-13H,5-7H2,1-2H3
InChIKeyDTDXBQUDEQLDRO-UHFFFAOYSA-N
XLogP2.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol 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'-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]methanediamine
CID 115226362
3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol
CID 79838000
2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]acetamide
CID 115260344
2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]acetamide
CID 115162258
2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol
CID 115216485
2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]ethanol
CID 115216577
2-(5-bromothiophen-2-yl)-N-(2-chloroethyl)-2-methylpropan-1-amine
CID 115215289
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613
N-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine
CID 79830033
N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963416
N'-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutane-1,4-diamine
CID 115203520
2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]ethanol
CID 115216581

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol?
The IUPAC name of 2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol (CID 115216508) is 2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol.
What is the SMILES notation for 2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol?
The canonical SMILES for 2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol is CC(C)(CNCCO)c1ccc(Cl)s1.
What is the InChIKey of 2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol?
The InChIKey is DTDXBQUDEQLDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-10(2,7-12-5-6-13)8-3-4-9(11)14-8/h3-4,12-13H,5-7H2,1-2H3.
What are the key properties of 2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol?
2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol has a molecular weight of 233.76 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol is sourced from PubChem (CID 115216508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).