2-[(4-methylsulfanylphenyl)methylamino]-1-phenylethanol

C16H19NOS — CID 2984279

IUPAC2-[(4-methylsulfanylphenyl)methylamino]-1-phenylethanol
SMILESCSc1ccc(CNCC(O)c2ccccc2)cc1
InChIInChI=1S/C16H19NOS/c1-19-15-9-7-13(8-10-15)11-17-12-16(18)14-5-3-2-4-6-14/h2-10,16-18H,11-12H2,1H3
InChIKeyIOVUYLUZHRMPJR-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.23
Rot. Bonds6

About 2-[(4-methylsulfanylphenyl)methylamino]-1-phenylethanol

2-[(4-methylsulfanylphenyl)methylamino]-1-phenylethanol (PubChem CID 2984279) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-[(4-methylsulfanylphenyl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(4-methylsulfanylphenyl)methylamino]-1-phenylethanol
PubChem CID2984279
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name2-[(4-methylsulfanylphenyl)methylamino]-1-phenylethanol
SMILESCSc1ccc(CNCC(O)c2ccccc2)cc1
InChIInChI=1S/C16H19NOS/c1-19-15-9-7-13(8-10-15)11-17-12-16(18)14-5-3-2-4-6-14/h2-10,16-18H,11-12H2,1H3
InChIKeyIOVUYLUZHRMPJR-UHFFFAOYSA-N
XLogP3.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylsulfanylphenyl)methylamino]-1-phenylethanol?
The IUPAC name of 2-[(4-methylsulfanylphenyl)methylamino]-1-phenylethanol (CID 2984279) is 2-[(4-methylsulfanylphenyl)methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[(4-methylsulfanylphenyl)methylamino]-1-phenylethanol?
The canonical SMILES for 2-[(4-methylsulfanylphenyl)methylamino]-1-phenylethanol is CSc1ccc(CNCC(O)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methylsulfanylphenyl)methylamino]-1-phenylethanol?
The InChIKey is IOVUYLUZHRMPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-19-15-9-7-13(8-10-15)11-17-12-16(18)14-5-3-2-4-6-14/h2-10,16-18H,11-12H2,1H3.
What are the key properties of 2-[(4-methylsulfanylphenyl)methylamino]-1-phenylethanol?
2-[(4-methylsulfanylphenyl)methylamino]-1-phenylethanol has a molecular weight of 273.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylsulfanylphenyl)methylamino]-1-phenylethanol is sourced from PubChem (CID 2984279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).