2-(2-amino-5-methylphenyl)sulfanyl-1-(3-methoxyphenyl)ethanol

C16H19NO2S — CID 81134479

IUPAC2-(2-amino-5-methylphenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CSc2cc(C)ccc2N)c1
InChIInChI=1S/C16H19NO2S/c1-11-6-7-14(17)16(8-11)20-10-15(18)12-4-3-5-13(9-12)19-2/h3-9,15,18H,10,17H2,1-2H3
InChIKeySUYMIHJPRKCHDS-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.41
Rot. Bonds5

About 2-(2-amino-5-methylphenyl)sulfanyl-1-(3-methoxyphenyl)ethanol

2-(2-amino-5-methylphenyl)sulfanyl-1-(3-methoxyphenyl)ethanol (PubChem CID 81134479) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(2-amino-5-methylphenyl)sulfanyl-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-amino-5-methylphenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
PubChem CID81134479
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-(2-amino-5-methylphenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CSc2cc(C)ccc2N)c1
InChIInChI=1S/C16H19NO2S/c1-11-6-7-14(17)16(8-11)20-10-15(18)12-4-3-5-13(9-12)19-2/h3-9,15,18H,10,17H2,1-2H3
InChIKeySUYMIHJPRKCHDS-UHFFFAOYSA-N
XLogP3.41
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-amino-5-methylphenyl)sulfanyl-1-(3-methoxyphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-amino-5-bromophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
CID 81133461
2-[(3,5-dimethylphenyl)methylsulfanyl]-1-(3-methoxyphenyl)ethanol
CID 81140967
2-(3,4-difluorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
CID 112725157
3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]sulfanylpropane-1,2-diol
CID 81135235
2-[3-(hydroxymethyl)phenyl]sulfanyl-1-(3-methoxyphenyl)ethanol
CID 81134166
1-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 113221262
1-amino-3-(2-amino-5-methoxyphenyl)sulfanylpropan-2-ol
CID 104643516
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
2-(2,2-difluoroethylsulfanyl)-4-methylaniline
CID 79142218
3-(2-amino-5-methylphenyl)sulfanyl-2-phenylpropanoic acid
CID 79142191
1-(3-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347397
2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-methoxyphenyl)ethanol
CID 81136925

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methylphenyl)sulfanyl-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-(2-amino-5-methylphenyl)sulfanyl-1-(3-methoxyphenyl)ethanol (CID 81134479) is 2-(2-amino-5-methylphenyl)sulfanyl-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-amino-5-methylphenyl)sulfanyl-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-(2-amino-5-methylphenyl)sulfanyl-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CSc2cc(C)ccc2N)c1.
What is the InChIKey of 2-(2-amino-5-methylphenyl)sulfanyl-1-(3-methoxyphenyl)ethanol?
The InChIKey is SUYMIHJPRKCHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-11-6-7-14(17)16(8-11)20-10-15(18)12-4-3-5-13(9-12)19-2/h3-9,15,18H,10,17H2,1-2H3.
What are the key properties of 2-(2-amino-5-methylphenyl)sulfanyl-1-(3-methoxyphenyl)ethanol?
2-(2-amino-5-methylphenyl)sulfanyl-1-(3-methoxyphenyl)ethanol has a molecular weight of 289.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methylphenyl)sulfanyl-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 81134479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).