2-[[chloro(phenyl)methyl]-thiophen-2-ylamino]ethanol

C13H14ClNOS — CID 70407626

IUPAC2-[[chloro(phenyl)methyl]-thiophen-2-ylamino]ethanol
SMILESOCCN(c1cccs1)C(Cl)c1ccccc1
InChIInChI=1S/C13H14ClNOS/c14-13(11-5-2-1-3-6-11)15(8-9-16)12-7-4-10-17-12/h1-7,10,13,16H,8-9H2
InChIKeyLQHAVCUWONWMEO-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.48
Rot. Bonds5

About 2-[[chloro(phenyl)methyl]-thiophen-2-ylamino]ethanol

2-[[chloro(phenyl)methyl]-thiophen-2-ylamino]ethanol (PubChem CID 70407626) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 2-[[chloro(phenyl)methyl]-thiophen-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[chloro(phenyl)methyl]-thiophen-2-ylamino]ethanol
PubChem CID70407626
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name2-[[chloro(phenyl)methyl]-thiophen-2-ylamino]ethanol
SMILESOCCN(c1cccs1)C(Cl)c1ccccc1
InChIInChI=1S/C13H14ClNOS/c14-13(11-5-2-1-3-6-11)15(8-9-16)12-7-4-10-17-12/h1-7,10,13,16H,8-9H2
InChIKeyLQHAVCUWONWMEO-UHFFFAOYSA-N
XLogP3.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[chloro(phenyl)methyl]-thiophen-2-ylamino]ethanol?
The IUPAC name of 2-[[chloro(phenyl)methyl]-thiophen-2-ylamino]ethanol (CID 70407626) is 2-[[chloro(phenyl)methyl]-thiophen-2-ylamino]ethanol.
What is the SMILES notation for 2-[[chloro(phenyl)methyl]-thiophen-2-ylamino]ethanol?
The canonical SMILES for 2-[[chloro(phenyl)methyl]-thiophen-2-ylamino]ethanol is OCCN(c1cccs1)C(Cl)c1ccccc1.
What is the InChIKey of 2-[[chloro(phenyl)methyl]-thiophen-2-ylamino]ethanol?
The InChIKey is LQHAVCUWONWMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c14-13(11-5-2-1-3-6-11)15(8-9-16)12-7-4-10-17-12/h1-7,10,13,16H,8-9H2.
What are the key properties of 2-[[chloro(phenyl)methyl]-thiophen-2-ylamino]ethanol?
2-[[chloro(phenyl)methyl]-thiophen-2-ylamino]ethanol has a molecular weight of 267.78 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[chloro(phenyl)methyl]-thiophen-2-ylamino]ethanol is sourced from PubChem (CID 70407626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).