2-(2-methylsulfanylethylamino)-1,2-diphenylethanol

C17H21NOS — CID 19806393

IUPAC2-(2-methylsulfanylethylamino)-1,2-diphenylethanol
SMILESCSCCNC(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-20-13-12-18-16(14-8-4-2-5-9-14)17(19)15-10-6-3-7-11-15/h2-11,16-19H,12-13H2,1H3
InChIKeyZVAMJCFHTUBTNJ-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.41
Rot. Bonds7

About 2-(2-methylsulfanylethylamino)-1,2-diphenylethanol

2-(2-methylsulfanylethylamino)-1,2-diphenylethanol (PubChem CID 19806393) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-(2-methylsulfanylethylamino)-1,2-diphenylethanol.

Molecular Properties

Compound Name2-(2-methylsulfanylethylamino)-1,2-diphenylethanol
PubChem CID19806393
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name2-(2-methylsulfanylethylamino)-1,2-diphenylethanol
SMILESCSCCNC(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-20-13-12-18-16(14-8-4-2-5-9-14)17(19)15-10-6-3-7-11-15/h2-11,16-19H,12-13H2,1H3
InChIKeyZVAMJCFHTUBTNJ-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

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-methylsulfanylethyl)-1-phenylpropan-1-amine
CID 60697107
3-[(2-hydroxy-1,2-diphenylethyl)amino]propan-1-ol
CID 14391185
N-(2-methylsulfanylethyl)-3-phenylbutan-2-amine
CID 115706156
2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid
CID 14093660
3-methyl-N-(2-methylsulfanylethyl)-1-phenylbutan-1-amine
CID 60697526
(1S,2S)-2-anilino-1,2-diphenylethanol
CID 1236280
sodium;hydride;2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid
CID 173391415
(1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol
CID 11772348
(2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide
CID 104897926
4-methylsulfanyl-N-(1-phenylethyl)butan-1-amine
CID 115668102
1,2-diphenylethane-1,2-diol
CID 159073808
(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine
CID 100914664

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylethylamino)-1,2-diphenylethanol?
The IUPAC name of 2-(2-methylsulfanylethylamino)-1,2-diphenylethanol (CID 19806393) is 2-(2-methylsulfanylethylamino)-1,2-diphenylethanol.
What is the SMILES notation for 2-(2-methylsulfanylethylamino)-1,2-diphenylethanol?
The canonical SMILES for 2-(2-methylsulfanylethylamino)-1,2-diphenylethanol is CSCCNC(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 2-(2-methylsulfanylethylamino)-1,2-diphenylethanol?
The InChIKey is ZVAMJCFHTUBTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-20-13-12-18-16(14-8-4-2-5-9-14)17(19)15-10-6-3-7-11-15/h2-11,16-19H,12-13H2,1H3.
What are the key properties of 2-(2-methylsulfanylethylamino)-1,2-diphenylethanol?
2-(2-methylsulfanylethylamino)-1,2-diphenylethanol 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-methylsulfanylethylamino)-1,2-diphenylethanol is sourced from PubChem (CID 19806393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).