1-(4-aminophenyl)-2-benzylsulfanylethanol

C15H17NOS — CID 62265593

IUPAC1-(4-aminophenyl)-2-benzylsulfanylethanol
SMILESNc1ccc(C(O)CSCc2ccccc2)cc1
InChIInChI=1S/C15H17NOS/c16-14-8-6-13(7-9-14)15(17)11-18-10-12-4-2-1-3-5-12/h1-9,15,17H,10-11,16H2
InChIKeyLKJXQASCRVPMEY-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.24
Rot. Bonds5

About 1-(4-aminophenyl)-2-benzylsulfanylethanol

1-(4-aminophenyl)-2-benzylsulfanylethanol (PubChem CID 62265593) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-benzylsulfanylethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-benzylsulfanylethanol
PubChem CID62265593
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name1-(4-aminophenyl)-2-benzylsulfanylethanol
SMILESNc1ccc(C(O)CSCc2ccccc2)cc1
InChIInChI=1S/C15H17NOS/c16-14-8-6-13(7-9-14)15(17)11-18-10-12-4-2-1-3-5-12/h1-9,15,17H,10-11,16H2
InChIKeyLKJXQASCRVPMEY-UHFFFAOYSA-N
XLogP3.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.24
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

2-[(3,5-dimethylphenyl)methylsulfanyl]-1-phenylethanol
CID 78977116
2-(4-aminophenyl)sulfanyl-1-phenylethanol
CID 51062435
1-(4-aminophenyl)-2-(2-methylpropylsulfanyl)ethanol
CID 62264389
3-[[(2R)-2-hydroxy-2-phenylethyl]sulfanylmethyl]benzamide
CID 94209938
(2S)-2-benzylsulfanyl-2-deuterio-1-phenylethanol
CID 71507102
1-(4-aminophenyl)-2-(2-methoxyethylsulfanyl)ethanol
CID 62264556
tert-butyl 2-[2-(4-aminophenyl)-2-hydroxyethyl]sulfanylacetate
CID 116686958
(1S)-2-[[6-[[(2S)-2-hydroxy-2-phenylethyl]sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1-phenylethanol
CID 15441991
3-benzylsulfanyl-2-(benzylsulfanylmethyl)propan-1-amine
CID 134882341
2-ethylsulfanyl-1-(4-phenylphenyl)ethanol
CID 65455892
2-(4-aminoanilino)-1-(4-phenylphenyl)ethanol
CID 155758987
(2R)-2-amino-3-benzylsulfanylpropane-1-thiol
CID 121215749

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-benzylsulfanylethanol?
The IUPAC name of 1-(4-aminophenyl)-2-benzylsulfanylethanol (CID 62265593) is 1-(4-aminophenyl)-2-benzylsulfanylethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-benzylsulfanylethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-benzylsulfanylethanol is Nc1ccc(C(O)CSCc2ccccc2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-benzylsulfanylethanol?
The InChIKey is LKJXQASCRVPMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c16-14-8-6-13(7-9-14)15(17)11-18-10-12-4-2-1-3-5-12/h1-9,15,17H,10-11,16H2.
What are the key properties of 1-(4-aminophenyl)-2-benzylsulfanylethanol?
1-(4-aminophenyl)-2-benzylsulfanylethanol has a molecular weight of 259.37 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 1-(4-aminophenyl)-2-benzylsulfanylethanol is sourced from PubChem (CID 62265593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).