1-(4-aminophenyl)-2-(2-methylpropylsulfanyl)ethanol

C12H19NOS — CID 62264389

IUPAC1-(4-aminophenyl)-2-(2-methylpropylsulfanyl)ethanol
SMILESCC(C)CSCC(O)c1ccc(N)cc1
InChIInChI=1S/C12H19NOS/c1-9(2)7-15-8-12(14)10-3-5-11(13)6-4-10/h3-6,9,12,14H,7-8,13H2,1-2H3
InChIKeyOWEBVTDPFKMQFX-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.69
Rot. Bonds5

About 1-(4-aminophenyl)-2-(2-methylpropylsulfanyl)ethanol

1-(4-aminophenyl)-2-(2-methylpropylsulfanyl)ethanol (PubChem CID 62264389) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(2-methylpropylsulfanyl)ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(2-methylpropylsulfanyl)ethanol
PubChem CID62264389
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-(4-aminophenyl)-2-(2-methylpropylsulfanyl)ethanol
SMILESCC(C)CSCC(O)c1ccc(N)cc1
InChIInChI=1S/C12H19NOS/c1-9(2)7-15-8-12(14)10-3-5-11(13)6-4-10/h3-6,9,12,14H,7-8,13H2,1-2H3
InChIKeyOWEBVTDPFKMQFX-UHFFFAOYSA-N
XLogP2.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.69
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-(4-aminophenyl)-2-(2-methoxyethylsulfanyl)ethanol
CID 62264556
1-(3,4-dimethylphenyl)-2-(2-methylpropylsulfanyl)ethanol
CID 65135826
1-(4-aminophenyl)-2-benzylsulfanylethanol
CID 62265593
1-(4-aminophenyl)-5-methylhexan-1-ol
CID 106695506
tert-butyl 2-[2-(4-aminophenyl)-2-hydroxyethyl]sulfanylacetate
CID 116686958
4-[1-(2-methylpropylsulfanyl)ethyl]aniline
CID 61262045
1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 106695441
4-[2-(2-methylpropylsulfanyl)ethyl]aniline
CID 43519820
1-(4-aminophenyl)-2-(4-chlorophenyl)sulfanylethanol
CID 62265413
1-(3-aminophenyl)-2-(2-methylbutylsulfanyl)ethanol
CID 107748858
2-(4-aminophenyl)sulfanyl-1-phenylethanol
CID 51062435
1-(4-aminophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol
CID 55055823

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(2-methylpropylsulfanyl)ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-(2-methylpropylsulfanyl)ethanol (CID 62264389) is 1-(4-aminophenyl)-2-(2-methylpropylsulfanyl)ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(2-methylpropylsulfanyl)ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-(2-methylpropylsulfanyl)ethanol is CC(C)CSCC(O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(2-methylpropylsulfanyl)ethanol?
The InChIKey is OWEBVTDPFKMQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-9(2)7-15-8-12(14)10-3-5-11(13)6-4-10/h3-6,9,12,14H,7-8,13H2,1-2H3.
What are the key properties of 1-(4-aminophenyl)-2-(2-methylpropylsulfanyl)ethanol?
1-(4-aminophenyl)-2-(2-methylpropylsulfanyl)ethanol has a molecular weight of 225.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(2-methylpropylsulfanyl)ethanol is sourced from PubChem (CID 62264389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).