2-amino-3-(3-methylphenyl)sulfanyl-2-phenylpropan-1-ol

C16H19NOS — CID 64806241

IUPAC2-amino-3-(3-methylphenyl)sulfanyl-2-phenylpropan-1-ol
SMILESCc1cccc(SCC(N)(CO)c2ccccc2)c1
InChIInChI=1S/C16H19NOS/c1-13-6-5-9-15(10-13)19-12-16(17,11-18)14-7-3-2-4-8-14/h2-10,18H,11-12,17H2,1H3
InChIKeyMESFYJSQCLEQEG-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.93
Rot. Bonds5

About 2-amino-3-(3-methylphenyl)sulfanyl-2-phenylpropan-1-ol

2-amino-3-(3-methylphenyl)sulfanyl-2-phenylpropan-1-ol (PubChem CID 64806241) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-amino-3-(3-methylphenyl)sulfanyl-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-(3-methylphenyl)sulfanyl-2-phenylpropan-1-ol
PubChem CID64806241
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name2-amino-3-(3-methylphenyl)sulfanyl-2-phenylpropan-1-ol
SMILESCc1cccc(SCC(N)(CO)c2ccccc2)c1
InChIInChI=1S/C16H19NOS/c1-13-6-5-9-15(10-13)19-12-16(17,11-18)14-7-3-2-4-8-14/h2-10,18H,11-12,17H2,1H3
InChIKeyMESFYJSQCLEQEG-UHFFFAOYSA-N
XLogP2.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(2,4-dimethylphenyl)sulfanyl-2-phenylpropan-1-ol
CID 64805338
2,2-diamino-2-(3-methylphenyl)ethanol
CID 174833042
2-amino-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol
CID 64806442
1-methyl-3-(2-phenylsulfanylethylsulfanyl)benzene
CID 79327094
2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropan-1-ol
CID 64806319
1-(3-aminophenyl)sulfanyl-2-phenylpropan-2-ol
CID 79134142
2-amino-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol
CID 64806120
2-amino-2-phenylpentan-1-ol
CID 61056433
2-amino-3-[(5-bromo-2-pyridinyl)sulfanyl]-2-phenylpropan-1-ol
CID 64819301
2-amino-3,3,3-trifluoro-2-(3-methylphenyl)propan-1-ol
CID 130021958
2-amino-4-(3-methylphenyl)sulfanylbutan-1-ol
CID 64819222
(2S)-2-phenyl-1-phenylsulfanylpropan-2-ol
CID 138965294

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-methylphenyl)sulfanyl-2-phenylpropan-1-ol?
The IUPAC name of 2-amino-3-(3-methylphenyl)sulfanyl-2-phenylpropan-1-ol (CID 64806241) is 2-amino-3-(3-methylphenyl)sulfanyl-2-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-3-(3-methylphenyl)sulfanyl-2-phenylpropan-1-ol?
The canonical SMILES for 2-amino-3-(3-methylphenyl)sulfanyl-2-phenylpropan-1-ol is Cc1cccc(SCC(N)(CO)c2ccccc2)c1.
What is the InChIKey of 2-amino-3-(3-methylphenyl)sulfanyl-2-phenylpropan-1-ol?
The InChIKey is MESFYJSQCLEQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-13-6-5-9-15(10-13)19-12-16(17,11-18)14-7-3-2-4-8-14/h2-10,18H,11-12,17H2,1H3.
What are the key properties of 2-amino-3-(3-methylphenyl)sulfanyl-2-phenylpropan-1-ol?
2-amino-3-(3-methylphenyl)sulfanyl-2-phenylpropan-1-ol has a molecular weight of 273.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-methylphenyl)sulfanyl-2-phenylpropan-1-ol is sourced from PubChem (CID 64806241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).