2-amino-1-[4-(thietan-3-yl)phenyl]ethanol

C11H15NOS — CID 83834617

IUPAC2-amino-1-[4-(thietan-3-yl)phenyl]ethanol
SMILESNCC(O)c1ccc(C2CSC2)cc1
InChIInChI=1S/C11H15NOS/c12-5-11(13)9-3-1-8(2-4-9)10-6-14-7-10/h1-4,10-11,13H,5-7,12H2
InChIKeyVPDZYFKXWKFGLV-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.51
Rot. Bonds3

About 2-amino-1-[4-(thietan-3-yl)phenyl]ethanol

2-amino-1-[4-(thietan-3-yl)phenyl]ethanol (PubChem CID 83834617) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-amino-1-[4-(thietan-3-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[4-(thietan-3-yl)phenyl]ethanol
PubChem CID83834617
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-amino-1-[4-(thietan-3-yl)phenyl]ethanol
SMILESNCC(O)c1ccc(C2CSC2)cc1
InChIInChI=1S/C11H15NOS/c12-5-11(13)9-3-1-8(2-4-9)10-6-14-7-10/h1-4,10-11,13H,5-7,12H2
InChIKeyVPDZYFKXWKFGLV-UHFFFAOYSA-N
XLogP1.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(thietan-3-yl)phenyl]ethanol?
The IUPAC name of 2-amino-1-[4-(thietan-3-yl)phenyl]ethanol (CID 83834617) is 2-amino-1-[4-(thietan-3-yl)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[4-(thietan-3-yl)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[4-(thietan-3-yl)phenyl]ethanol is NCC(O)c1ccc(C2CSC2)cc1.
What is the InChIKey of 2-amino-1-[4-(thietan-3-yl)phenyl]ethanol?
The InChIKey is VPDZYFKXWKFGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c12-5-11(13)9-3-1-8(2-4-9)10-6-14-7-10/h1-4,10-11,13H,5-7,12H2.
What are the key properties of 2-amino-1-[4-(thietan-3-yl)phenyl]ethanol?
2-amino-1-[4-(thietan-3-yl)phenyl]ethanol has a molecular weight of 209.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(thietan-3-yl)phenyl]ethanol is sourced from PubChem (CID 83834617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).