2-(3-bromo-4-methylphenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine

C14H21BrN2S — CID 105405193

IUPAC2-(3-bromo-4-methylphenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine
SMILESCc1ccc(C(CN)N2CCSC(C)C2)cc1Br
InChIInChI=1S/C14H21BrN2S/c1-10-3-4-12(7-13(10)15)14(8-16)17-5-6-18-11(2)9-17/h3-4,7,11,14H,5-6,8-9,16H2,1-2H3
InChIKeyATRGUYLPLNMLPK-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.19
Rot. Bonds3

About 2-(3-bromo-4-methylphenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine

2-(3-bromo-4-methylphenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine (PubChem CID 105405193) has the molecular formula C14H21BrN2S and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-(3-bromo-4-methylphenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methylphenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine
PubChem CID105405193
Molecular FormulaC14H21BrN2S
Molecular Weight329.31 g/mol
Exact Mass328.06
IUPAC Name2-(3-bromo-4-methylphenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine
SMILESCc1ccc(C(CN)N2CCSC(C)C2)cc1Br
InChIInChI=1S/C14H21BrN2S/c1-10-3-4-12(7-13(10)15)14(8-16)17-5-6-18-11(2)9-17/h3-4,7,11,14H,5-6,8-9,16H2,1-2H3
InChIKeyATRGUYLPLNMLPK-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylquinolin-6-yl)-2-(2-methylthiomorpholin-4-yl)ethanamine
CID 105378848
1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 105404983
2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 105405028
2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586275
2-(4-chloro-2-fluorophenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine
CID 114843418
2-(4-bromo-3-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 79188495
2-(4-bromo-3-methylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 66479758
2-(4-bromo-3-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 66472651
2-(3-bromo-4-methylphenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 105405177
2-(3-bromo-4-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 105405159
2-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 83230769
2-(4-bromo-3-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 81437164

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylphenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine?
The IUPAC name of 2-(3-bromo-4-methylphenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine (CID 105405193) is 2-(3-bromo-4-methylphenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-methylphenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-methylphenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine is Cc1ccc(C(CN)N2CCSC(C)C2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylphenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine?
The InChIKey is ATRGUYLPLNMLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2S/c1-10-3-4-12(7-13(10)15)14(8-16)17-5-6-18-11(2)9-17/h3-4,7,11,14H,5-6,8-9,16H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methylphenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine?
2-(3-bromo-4-methylphenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine has a molecular weight of 329.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylphenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine is sourced from PubChem (CID 105405193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).