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

C15H16BrNO2S — CID 81133461

IUPAC2-(2-amino-5-bromophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CSc2cc(Br)ccc2N)c1
InChIInChI=1S/C15H16BrNO2S/c1-19-12-4-2-3-10(7-12)14(18)9-20-15-8-11(16)5-6-13(15)17/h2-8,14,18H,9,17H2,1H3
InChIKeyZIZWPMNGHDTETI-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.87
Rot. Bonds5

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

2-(2-amino-5-bromophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol (PubChem CID 81133461) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is 2-(2-amino-5-bromophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-amino-5-bromophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
PubChem CID81133461
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC Name2-(2-amino-5-bromophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CSc2cc(Br)ccc2N)c1
InChIInChI=1S/C15H16BrNO2S/c1-19-12-4-2-3-10(7-12)14(18)9-20-15-8-11(16)5-6-13(15)17/h2-8,14,18H,9,17H2,1H3
InChIKeyZIZWPMNGHDTETI-UHFFFAOYSA-N
XLogP3.87
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.87
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

2-(2-amino-5-methylphenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
CID 81134479
2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol
CID 60797863
2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-methoxyphenyl)ethanol
CID 81136925
1-(2-amino-5-bromophenyl)sulfanylbutan-2-ol
CID 79533607
3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]sulfanylpropane-1,2-diol
CID 81135235
2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134139
2-[3-(hydroxymethyl)phenyl]sulfanyl-1-(3-methoxyphenyl)ethanol
CID 81134166
2-(3,4-difluorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
CID 112725157
2-(5-bromo-2-methylanilino)-1-(3-methoxyphenyl)ethanol
CID 81135103
1-amino-3-(2-amino-5-methoxyphenyl)sulfanylpropan-2-ol
CID 104643516
(2,5-dibromophenyl)-(3-methoxyphenyl)methanol
CID 61100755
2-[(3,5-dimethylphenyl)methylsulfanyl]-1-(3-methoxyphenyl)ethanol
CID 81140967

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-(2-amino-5-bromophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol (CID 81133461) is 2-(2-amino-5-bromophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-amino-5-bromophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-(2-amino-5-bromophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CSc2cc(Br)ccc2N)c1.
What is the InChIKey of 2-(2-amino-5-bromophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol?
The InChIKey is ZIZWPMNGHDTETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-19-12-4-2-3-10(7-12)14(18)9-20-15-8-11(16)5-6-13(15)17/h2-8,14,18H,9,17H2,1H3.
What are the key properties of 2-(2-amino-5-bromophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol?
2-(2-amino-5-bromophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol has a molecular weight of 354.27 g/mol, XLogP of 3.87, 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-bromophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 81133461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).