2-(tert-butylamino)-1-(3-chlorothiophen-2-yl)ethanol

C10H16ClNOS — CID 3046790

IUPAC2-(tert-butylamino)-1-(3-chlorothiophen-2-yl)ethanol
SMILESCC(C)(C)NCC(O)c1sccc1Cl
InChIInChI=1S/C10H16ClNOS/c1-10(2,3)12-6-8(13)9-7(11)4-5-14-9/h4-5,8,12-13H,6H2,1-3H3
InChIKeyREQYNMUQDOSYGC-UHFFFAOYSA-N
MW233.76 g/mol
LogP2.82
Rot. Bonds3

About 2-(tert-butylamino)-1-(3-chlorothiophen-2-yl)ethanol

2-(tert-butylamino)-1-(3-chlorothiophen-2-yl)ethanol (PubChem CID 3046790) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3-chlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(3-chlorothiophen-2-yl)ethanol
PubChem CID3046790
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name2-(tert-butylamino)-1-(3-chlorothiophen-2-yl)ethanol
SMILESCC(C)(C)NCC(O)c1sccc1Cl
InChIInChI=1S/C10H16ClNOS/c1-10(2,3)12-6-8(13)9-7(11)4-5-14-9/h4-5,8,12-13H,6H2,1-3H3
InChIKeyREQYNMUQDOSYGC-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(3-chlorothiophen-2-yl)ethanol?
The IUPAC name of 2-(tert-butylamino)-1-(3-chlorothiophen-2-yl)ethanol (CID 3046790) is 2-(tert-butylamino)-1-(3-chlorothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-(3-chlorothiophen-2-yl)ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-(3-chlorothiophen-2-yl)ethanol is CC(C)(C)NCC(O)c1sccc1Cl.
What is the InChIKey of 2-(tert-butylamino)-1-(3-chlorothiophen-2-yl)ethanol?
The InChIKey is REQYNMUQDOSYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-10(2,3)12-6-8(13)9-7(11)4-5-14-9/h4-5,8,12-13H,6H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-(3-chlorothiophen-2-yl)ethanol?
2-(tert-butylamino)-1-(3-chlorothiophen-2-yl)ethanol has a molecular weight of 233.76 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(3-chlorothiophen-2-yl)ethanol is sourced from PubChem (CID 3046790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).