2-[2-(methylamino)-1,2-diphenylethyl]sulfanylethanol

C17H21NOS — CID 64614405

IUPAC2-[2-(methylamino)-1,2-diphenylethyl]sulfanylethanol
SMILESCNC(c1ccccc1)C(SCCO)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-18-16(14-8-4-2-5-9-14)17(20-13-12-19)15-10-6-3-7-11-15/h2-11,16-19H,12-13H2,1H3
InChIKeyMWLWGJYYJIPNPX-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.41
Rot. Bonds7

About 2-[2-(methylamino)-1,2-diphenylethyl]sulfanylethanol

2-[2-(methylamino)-1,2-diphenylethyl]sulfanylethanol (PubChem CID 64614405) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-[2-(methylamino)-1,2-diphenylethyl]sulfanylethanol.

Molecular Properties

Compound Name2-[2-(methylamino)-1,2-diphenylethyl]sulfanylethanol
PubChem CID64614405
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name2-[2-(methylamino)-1,2-diphenylethyl]sulfanylethanol
SMILESCNC(c1ccccc1)C(SCCO)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-18-16(14-8-4-2-5-9-14)17(20-13-12-19)15-10-6-3-7-11-15/h2-11,16-19H,12-13H2,1H3
InChIKeyMWLWGJYYJIPNPX-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)-1,2-diphenylethyl]sulfanylethanol?
The IUPAC name of 2-[2-(methylamino)-1,2-diphenylethyl]sulfanylethanol (CID 64614405) is 2-[2-(methylamino)-1,2-diphenylethyl]sulfanylethanol.
What is the SMILES notation for 2-[2-(methylamino)-1,2-diphenylethyl]sulfanylethanol?
The canonical SMILES for 2-[2-(methylamino)-1,2-diphenylethyl]sulfanylethanol is CNC(c1ccccc1)C(SCCO)c1ccccc1.
What is the InChIKey of 2-[2-(methylamino)-1,2-diphenylethyl]sulfanylethanol?
The InChIKey is MWLWGJYYJIPNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-18-16(14-8-4-2-5-9-14)17(20-13-12-19)15-10-6-3-7-11-15/h2-11,16-19H,12-13H2,1H3.
What are the key properties of 2-[2-(methylamino)-1,2-diphenylethyl]sulfanylethanol?
2-[2-(methylamino)-1,2-diphenylethyl]sulfanylethanol has a molecular weight of 287.43 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)-1,2-diphenylethyl]sulfanylethanol is sourced from PubChem (CID 64614405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).