2-amino-3-(2,4-dimethylphenyl)sulfanyl-2-phenylpropan-1-ol

C17H21NOS — CID 64805338

IUPAC2-amino-3-(2,4-dimethylphenyl)sulfanyl-2-phenylpropan-1-ol
SMILESCc1ccc(SCC(N)(CO)c2ccccc2)c(C)c1
InChIInChI=1S/C17H21NOS/c1-13-8-9-16(14(2)10-13)20-12-17(18,11-19)15-6-4-3-5-7-15/h3-10,19H,11-12,18H2,1-2H3
InChIKeyZKUGODPGKXFXGJ-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.24
Rot. Bonds5

About 2-amino-3-(2,4-dimethylphenyl)sulfanyl-2-phenylpropan-1-ol

2-amino-3-(2,4-dimethylphenyl)sulfanyl-2-phenylpropan-1-ol (PubChem CID 64805338) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-amino-3-(2,4-dimethylphenyl)sulfanyl-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2,4-dimethylphenyl)sulfanyl-2-phenylpropan-1-ol
PubChem CID64805338
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name2-amino-3-(2,4-dimethylphenyl)sulfanyl-2-phenylpropan-1-ol
SMILESCc1ccc(SCC(N)(CO)c2ccccc2)c(C)c1
InChIInChI=1S/C17H21NOS/c1-13-8-9-16(14(2)10-13)20-12-17(18,11-19)15-6-4-3-5-7-15/h3-10,19H,11-12,18H2,1-2H3
InChIKeyZKUGODPGKXFXGJ-UHFFFAOYSA-N
XLogP3.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4-dimethylphenyl)sulfanyl-2-phenylpropan-1-ol?
The IUPAC name of 2-amino-3-(2,4-dimethylphenyl)sulfanyl-2-phenylpropan-1-ol (CID 64805338) is 2-amino-3-(2,4-dimethylphenyl)sulfanyl-2-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-3-(2,4-dimethylphenyl)sulfanyl-2-phenylpropan-1-ol?
The canonical SMILES for 2-amino-3-(2,4-dimethylphenyl)sulfanyl-2-phenylpropan-1-ol is Cc1ccc(SCC(N)(CO)c2ccccc2)c(C)c1.
What is the InChIKey of 2-amino-3-(2,4-dimethylphenyl)sulfanyl-2-phenylpropan-1-ol?
The InChIKey is ZKUGODPGKXFXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-13-8-9-16(14(2)10-13)20-12-17(18,11-19)15-6-4-3-5-7-15/h3-10,19H,11-12,18H2,1-2H3.
What are the key properties of 2-amino-3-(2,4-dimethylphenyl)sulfanyl-2-phenylpropan-1-ol?
2-amino-3-(2,4-dimethylphenyl)sulfanyl-2-phenylpropan-1-ol has a molecular weight of 287.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,4-dimethylphenyl)sulfanyl-2-phenylpropan-1-ol is sourced from PubChem (CID 64805338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).