1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol

C15H17NOS — CID 62267411

IUPAC1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol
SMILESCc1cccc(SCC(O)c2cccc(N)c2)c1
InChIInChI=1S/C15H17NOS/c1-11-4-2-7-14(8-11)18-10-15(17)12-5-3-6-13(16)9-12/h2-9,15,17H,10,16H2,1H3
InChIKeyLPYQKANHJLFMHT-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.40
Rot. Bonds4

About 1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol

1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol (PubChem CID 62267411) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol
PubChem CID62267411
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol
SMILESCc1cccc(SCC(O)c2cccc(N)c2)c1
InChIInChI=1S/C15H17NOS/c1-11-4-2-7-14(8-11)18-10-15(17)12-5-3-6-13(16)9-12/h2-9,15,17H,10,16H2,1H3
InChIKeyLPYQKANHJLFMHT-UHFFFAOYSA-N
XLogP3.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoro-4-methylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 107128531
2-(3-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
CID 66086004
1-(3-methylphenyl)sulfanylpropan-2-ol
CID 61244165
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol
CID 66071789
1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 66088132
1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol
CID 106695951
1-(3-aminophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanol
CID 102924753
1-(3-aminophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanol
CID 65038506
2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol
CID 102831390
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanol
CID 65142018
ethane;1-(3-methylphenyl)sulfanylpropan-2-amine
CID 145087254
1-(2,2-difluoroethylsulfanyl)-3-methylbenzene
CID 130741881

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol?
The IUPAC name of 1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol (CID 62267411) is 1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol is Cc1cccc(SCC(O)c2cccc(N)c2)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol?
The InChIKey is LPYQKANHJLFMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11-4-2-7-14(8-11)18-10-15(17)12-5-3-6-13(16)9-12/h2-9,15,17H,10,16H2,1H3.
What are the key properties of 1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol?
1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol has a molecular weight of 259.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol is sourced from PubChem (CID 62267411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).