2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(4-ethoxyphenyl)-N-methylethanamine

C16H19BrN2OS — CID 64629033

IUPAC2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(4-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1ccc(C(CSc2ccc(Br)cn2)NC)cc1
InChIInChI=1S/C16H19BrN2OS/c1-3-20-14-7-4-12(5-8-14)15(18-2)11-21-16-9-6-13(17)10-19-16/h4-10,15,18H,3,11H2,1-2H3
InChIKeyQMUNCIXSZLUEEP-UHFFFAOYSA-N
MW367.31 g/mol
LogP4.30
Rot. Bonds7

About 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(4-ethoxyphenyl)-N-methylethanamine

2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(4-ethoxyphenyl)-N-methylethanamine (PubChem CID 64629033) has the molecular formula C16H19BrN2OS and a molecular weight of 367.31 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(4-ethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(4-ethoxyphenyl)-N-methylethanamine
PubChem CID64629033
Molecular FormulaC16H19BrN2OS
Molecular Weight367.31 g/mol
Exact Mass366.04
IUPAC Name2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(4-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1ccc(C(CSc2ccc(Br)cn2)NC)cc1
InChIInChI=1S/C16H19BrN2OS/c1-3-20-14-7-4-12(5-8-14)15(18-2)11-21-16-9-6-13(17)10-19-16/h4-10,15,18H,3,11H2,1-2H3
InChIKeyQMUNCIXSZLUEEP-UHFFFAOYSA-N
XLogP4.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-N-methyl-2-pyrazin-2-ylsulfanylethanamine
CID 64625820
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 64629635
1-(4-ethoxyphenyl)-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 104604579
2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64629426
1-(1-benzofuran-2-yl)-2-[(5-bromo-2-pyridinyl)sulfanyl]-N-methylethanamine
CID 64631060
1-(4-ethoxyphenyl)-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 115384119
5-bromo-2-(4-ethoxyphenyl)pyridine
CID 83920618
2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 64629634
3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol
CID 107772633
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66103243
2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2-ethoxyphenyl)-N-methylethanamine
CID 64629637

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(4-ethoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(4-ethoxyphenyl)-N-methylethanamine (CID 64629033) is 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(4-ethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(4-ethoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(4-ethoxyphenyl)-N-methylethanamine is CCOc1ccc(C(CSc2ccc(Br)cn2)NC)cc1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(4-ethoxyphenyl)-N-methylethanamine?
The InChIKey is QMUNCIXSZLUEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2OS/c1-3-20-14-7-4-12(5-8-14)15(18-2)11-21-16-9-6-13(17)10-19-16/h4-10,15,18H,3,11H2,1-2H3.
What are the key properties of 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(4-ethoxyphenyl)-N-methylethanamine?
2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(4-ethoxyphenyl)-N-methylethanamine has a molecular weight of 367.31 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(4-ethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 64629033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).