2-[4-bromo-2-(2-methoxyethylsulfanyl)phenyl]ethanamine

C11H16BrNOS — CID 63819496

IUPAC2-[4-bromo-2-(2-methoxyethylsulfanyl)phenyl]ethanamine
SMILESCOCCSc1cc(Br)ccc1CCN
InChIInChI=1S/C11H16BrNOS/c1-14-6-7-15-11-8-10(12)3-2-9(11)4-5-13/h2-3,8H,4-7,13H2,1H3
InChIKeyFNYUXADUTOBYNT-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.69
Rot. Bonds6

About 2-[4-bromo-2-(2-methoxyethylsulfanyl)phenyl]ethanamine

2-[4-bromo-2-(2-methoxyethylsulfanyl)phenyl]ethanamine (PubChem CID 63819496) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-[4-bromo-2-(2-methoxyethylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-bromo-2-(2-methoxyethylsulfanyl)phenyl]ethanamine
PubChem CID63819496
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name2-[4-bromo-2-(2-methoxyethylsulfanyl)phenyl]ethanamine
SMILESCOCCSc1cc(Br)ccc1CCN
InChIInChI=1S/C11H16BrNOS/c1-14-6-7-15-11-8-10(12)3-2-9(11)4-5-13/h2-3,8H,4-7,13H2,1H3
InChIKeyFNYUXADUTOBYNT-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-bromo-2-(2-methylsulfonylethylsulfanyl)phenyl]ethanamine
CID 63836138
2-[4-bromo-2-(cyclopentylmethylsulfanyl)phenyl]ethanamine
CID 63820383
2-[4-bromo-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine
CID 63818081
4-bromo-1-cyclopropyloxy-2-(2-methoxyethylsulfanyl)benzene
CID 165465965
2-[4-(2-methoxyethylsulfanyl)-3-methylphenyl]ethanamine
CID 63819667
5-bromo-2-(2-methoxyethylsulfanyl)benzonitrile
CID 114893432
2-[5-bromo-2-(hydroxymethyl)phenyl]sulfanylethyl acetate
CID 172808153
2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63786690
5-bromo-2-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 114893629
2-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]ethanamine
CID 63819028
(4-bromo-2-ethylsulfanylphenyl)methanamine
CID 63805186
2-(2,4-dibromophenyl)ethanamine
CID 73012416

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(2-methoxyethylsulfanyl)phenyl]ethanamine?
The IUPAC name of 2-[4-bromo-2-(2-methoxyethylsulfanyl)phenyl]ethanamine (CID 63819496) is 2-[4-bromo-2-(2-methoxyethylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-bromo-2-(2-methoxyethylsulfanyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-bromo-2-(2-methoxyethylsulfanyl)phenyl]ethanamine is COCCSc1cc(Br)ccc1CCN.
What is the InChIKey of 2-[4-bromo-2-(2-methoxyethylsulfanyl)phenyl]ethanamine?
The InChIKey is FNYUXADUTOBYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-14-6-7-15-11-8-10(12)3-2-9(11)4-5-13/h2-3,8H,4-7,13H2,1H3.
What are the key properties of 2-[4-bromo-2-(2-methoxyethylsulfanyl)phenyl]ethanamine?
2-[4-bromo-2-(2-methoxyethylsulfanyl)phenyl]ethanamine has a molecular weight of 290.23 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(2-methoxyethylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 63819496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).