2-[[5-(4-chlorophenyl)thiophen-2-yl]methylamino]ethanol

C13H14ClNOS — CID 110879164

IUPAC2-[[5-(4-chlorophenyl)thiophen-2-yl]methylamino]ethanol
SMILESOCCNCc1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H14ClNOS/c14-11-3-1-10(2-4-11)13-6-5-12(17-13)9-15-7-8-16/h1-6,15-16H,7-9H2
InChIKeyATHLMRAIIFRQMJ-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.15
Rot. Bonds5

About 2-[[5-(4-chlorophenyl)thiophen-2-yl]methylamino]ethanol

2-[[5-(4-chlorophenyl)thiophen-2-yl]methylamino]ethanol (PubChem CID 110879164) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)thiophen-2-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)thiophen-2-yl]methylamino]ethanol
PubChem CID110879164
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name2-[[5-(4-chlorophenyl)thiophen-2-yl]methylamino]ethanol
SMILESOCCNCc1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H14ClNOS/c14-11-3-1-10(2-4-11)13-6-5-12(17-13)9-15-7-8-16/h1-6,15-16H,7-9H2
InChIKeyATHLMRAIIFRQMJ-UHFFFAOYSA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613
N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]formamide
CID 91219861
3-[[5-(4-nitrophenyl)thiophen-2-yl]methylamino]propan-1-ol
CID 110929286
N-[[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]methyl]ethanamine
CID 43287359
[5-(4-chlorophenyl)thiophen-2-yl]methanamine
CID 5224402
N-[[5-(4-propan-2-ylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287239
2,5-bis(4-chlorophenyl)thiophene
CID 3588046
N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]ethanamine
CID 43214098
N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]ethanamine
CID 107368901
2-(4-chlorophenyl)-5-(2-methylpropyl)thiophene
CID 169286654
2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222657
4-[[5-(3-chlorophenyl)thiophen-2-yl]methylamino]-2,2-dimethylbutanoic acid
CID 122126863

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)thiophen-2-yl]methylamino]ethanol?
The IUPAC name of 2-[[5-(4-chlorophenyl)thiophen-2-yl]methylamino]ethanol (CID 110879164) is 2-[[5-(4-chlorophenyl)thiophen-2-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)thiophen-2-yl]methylamino]ethanol?
The canonical SMILES for 2-[[5-(4-chlorophenyl)thiophen-2-yl]methylamino]ethanol is OCCNCc1ccc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)thiophen-2-yl]methylamino]ethanol?
The InChIKey is ATHLMRAIIFRQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c14-11-3-1-10(2-4-11)13-6-5-12(17-13)9-15-7-8-16/h1-6,15-16H,7-9H2.
What are the key properties of 2-[[5-(4-chlorophenyl)thiophen-2-yl]methylamino]ethanol?
2-[[5-(4-chlorophenyl)thiophen-2-yl]methylamino]ethanol has a molecular weight of 267.78 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)thiophen-2-yl]methylamino]ethanol is sourced from PubChem (CID 110879164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).