1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine

C11H16BrNO2S — CID 103523339

IUPAC1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine
SMILESCOc1ccc(C(N)CSC)c(OC)c1Br
InChIInChI=1S/C11H16BrNO2S/c1-14-9-5-4-7(8(13)6-16-3)11(15-2)10(9)12/h4-5,8H,6,13H2,1-3H3
InChIKeyBSSYZNODUWIUEZ-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.83
Rot. Bonds5

About 1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine

1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine (PubChem CID 103523339) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine
PubChem CID103523339
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine
SMILESCOc1ccc(C(N)CSC)c(OC)c1Br
InChIInChI=1S/C11H16BrNO2S/c1-14-9-5-4-7(8(13)6-16-3)11(15-2)10(9)12/h4-5,8H,6,13H2,1-3H3
InChIKeyBSSYZNODUWIUEZ-UHFFFAOYSA-N
XLogP2.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714339
1-(4-methoxy-2,3-dimethylphenyl)-2-methylsulfanylethanamine
CID 116830301
1-(2,3-dichloro-4-methoxyphenyl)-2-methylsulfanylethanamine
CID 116830340
1-(3-bromo-2,4-dimethoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 103523429
1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-propan-2-ylsulfanylethanamine
CID 103523381
(3-bromo-2,4-dimethoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine
CID 103523603
1-(3-bromo-2,4-dimethoxyphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 103523425
(3-bromo-2,4-dimethoxyphenyl)-(2-bromofuran-3-yl)methanamine
CID 106851976
(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-2-pyridinyl)methanamine
CID 103523606
(3-bromo-2,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine
CID 103523504
tert-butyl 2-(3-bromo-2,4-dimethoxyphenyl)propanoate
CID 103523778
ethyl 2-(3-bromo-2,4-dimethoxyphenyl)butanoate
CID 103523779

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine?
The IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine (CID 103523339) is 1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine.
What is the SMILES notation for 1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine?
The canonical SMILES for 1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine is COc1ccc(C(N)CSC)c(OC)c1Br.
What is the InChIKey of 1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine?
The InChIKey is BSSYZNODUWIUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-14-9-5-4-7(8(13)6-16-3)11(15-2)10(9)12/h4-5,8H,6,13H2,1-3H3.
What are the key properties of 1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine?
1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine has a molecular weight of 306.23 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine is sourced from PubChem (CID 103523339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).