1-(3-aminophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanol

C15H18N2OS — CID 102924753

IUPAC1-(3-aminophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanol
SMILESCc1cc(C)nc(SCC(O)c2cccc(N)c2)c1
InChIInChI=1S/C15H18N2OS/c1-10-6-11(2)17-15(7-10)19-9-14(18)12-4-3-5-13(16)8-12/h3-8,14,18H,9,16H2,1-2H3
InChIKeyNWGCDKHSHJVAAO-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.11
Rot. Bonds4

About 1-(3-aminophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanol

1-(3-aminophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanol (PubChem CID 102924753) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanol
PubChem CID102924753
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-(3-aminophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanol
SMILESCc1cc(C)nc(SCC(O)c2cccc(N)c2)c1
InChIInChI=1S/C15H18N2OS/c1-10-6-11(2)17-15(7-10)19-9-14(18)12-4-3-5-13(16)8-12/h3-8,14,18H,9,16H2,1-2H3
InChIKeyNWGCDKHSHJVAAO-UHFFFAOYSA-N
XLogP3.11
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanol
CID 65038506
1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol
CID 106695951
1-(3-aminophenyl)-2-pyridin-2-ylsulfanylethanol
CID 62269524
1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol
CID 62267411
1-(3,5-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102926515
3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-phenylpropanenitrile
CID 102924899
4-amino-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]phenol
CID 102924761
1-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol
CID 102926755
1-(3-aminophenyl)-2-(2-methylbutylsulfanyl)ethanol
CID 107748858
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102924478
1-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylethanol
CID 62267773
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)ethanamine
CID 102926336

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanol (CID 102924753) is 1-(3-aminophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanol is Cc1cc(C)nc(SCC(O)c2cccc(N)c2)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanol?
The InChIKey is NWGCDKHSHJVAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-6-11(2)17-15(7-10)19-9-14(18)12-4-3-5-13(16)8-12/h3-8,14,18H,9,16H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanol?
1-(3-aminophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanol has a molecular weight of 274.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanol is sourced from PubChem (CID 102924753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).