2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropan-1-ol

C17H21NOS — CID 64806319

IUPAC2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropan-1-ol
SMILESCc1ccccc1CSCC(N)(CO)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-14-7-5-6-8-15(14)11-20-13-17(18,12-19)16-9-3-2-4-10-16/h2-10,19H,11-13,18H2,1H3
InChIKeyGRMAIPVIFFZZDZ-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.07
Rot. Bonds6

About 2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropan-1-ol

2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropan-1-ol (PubChem CID 64806319) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropan-1-ol
PubChem CID64806319
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropan-1-ol
SMILESCc1ccccc1CSCC(N)(CO)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-14-7-5-6-8-15(14)11-20-13-17(18,12-19)16-9-3-2-4-10-16/h2-10,19H,11-13,18H2,1H3
InChIKeyGRMAIPVIFFZZDZ-UHFFFAOYSA-N
XLogP3.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropan-1-ol?
The IUPAC name of 2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropan-1-ol (CID 64806319) is 2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropan-1-ol?
The canonical SMILES for 2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropan-1-ol is Cc1ccccc1CSCC(N)(CO)c1ccccc1.
What is the InChIKey of 2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropan-1-ol?
The InChIKey is GRMAIPVIFFZZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-14-7-5-6-8-15(14)11-20-13-17(18,12-19)16-9-3-2-4-10-16/h2-10,19H,11-13,18H2,1H3.
What are the key properties of 2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropan-1-ol?
2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropan-1-ol has a molecular weight of 287.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropan-1-ol is sourced from PubChem (CID 64806319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).