1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-propan-2-ylsulfanylethanamine

C14H22BrNO2S — CID 103523381

IUPAC1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-propan-2-ylsulfanylethanamine
SMILESCNC(CSC(C)C)c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C14H22BrNO2S/c1-9(2)19-8-11(16-3)10-6-7-12(17-4)13(15)14(10)18-5/h6-7,9,11,16H,8H2,1-5H3
InChIKeyQKFOZXDQHITNNM-UHFFFAOYSA-N
MW348.31 g/mol
LogP3.87
Rot. Bonds7

About 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-propan-2-ylsulfanylethanamine

1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-propan-2-ylsulfanylethanamine (PubChem CID 103523381) has the molecular formula C14H22BrNO2S and a molecular weight of 348.31 g/mol. Its IUPAC name is 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-propan-2-ylsulfanylethanamine
PubChem CID103523381
Molecular FormulaC14H22BrNO2S
Molecular Weight348.31 g/mol
Exact Mass347.06
IUPAC Name1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-propan-2-ylsulfanylethanamine
SMILESCNC(CSC(C)C)c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C14H22BrNO2S/c1-9(2)19-8-11(16-3)10-6-7-12(17-4)13(15)14(10)18-5/h6-7,9,11,16H,8H2,1-5H3
InChIKeyQKFOZXDQHITNNM-UHFFFAOYSA-N
XLogP3.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 103524417
1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine
CID 103523339
1-(3-bromo-2,4-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine
CID 103523455
1-(3-bromo-2,4-dimethoxyphenyl)-4-methoxybutan-1-ol
CID 103523197
N-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 103524430
1-(3-bromo-2,4-dimethoxyphenyl)-2-ethoxy-N-ethylethanamine
CID 103523415
1-(3-bromo-2,4-dimethoxyphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 103523425
1-(3-bromo-2,4-dimethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 103523440
1-(3-bromo-2,4-dimethoxyphenyl)-N-ethylbut-3-en-1-amine
CID 103523550
N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine
CID 43589032
1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 103524439
N-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propoxyethyl]propan-1-amine
CID 103523326

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-propan-2-ylsulfanylethanamine?
The IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-propan-2-ylsulfanylethanamine (CID 103523381) is 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-propan-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-propan-2-ylsulfanylethanamine?
The canonical SMILES for 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-propan-2-ylsulfanylethanamine is CNC(CSC(C)C)c1ccc(OC)c(Br)c1OC.
What is the InChIKey of 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-propan-2-ylsulfanylethanamine?
The InChIKey is QKFOZXDQHITNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2S/c1-9(2)19-8-11(16-3)10-6-7-12(17-4)13(15)14(10)18-5/h6-7,9,11,16H,8H2,1-5H3.
What are the key properties of 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-propan-2-ylsulfanylethanamine?
1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-propan-2-ylsulfanylethanamine has a molecular weight of 348.31 g/mol, XLogP of 3.87, 7 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)-N-methyl-2-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 103523381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).