1-(5-bromo-3-pyridinyl)-N-methyl-3-(2-methylphenyl)sulfanylpropan-2-amine

C16H19BrN2S — CID 104802758

IUPAC1-(5-bromo-3-pyridinyl)-N-methyl-3-(2-methylphenyl)sulfanylpropan-2-amine
SMILESCNC(CSc1ccccc1C)Cc1cncc(Br)c1
InChIInChI=1S/C16H19BrN2S/c1-12-5-3-4-6-16(12)20-11-15(18-2)8-13-7-14(17)10-19-9-13/h3-7,9-10,15,18H,8,11H2,1-2H3
InChIKeyUQHQNYUDULRMMV-UHFFFAOYSA-N
MW351.31 g/mol
LogP4.08
Rot. Bonds6

About 1-(5-bromo-3-pyridinyl)-N-methyl-3-(2-methylphenyl)sulfanylpropan-2-amine

1-(5-bromo-3-pyridinyl)-N-methyl-3-(2-methylphenyl)sulfanylpropan-2-amine (PubChem CID 104802758) has the molecular formula C16H19BrN2S and a molecular weight of 351.31 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-N-methyl-3-(2-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-N-methyl-3-(2-methylphenyl)sulfanylpropan-2-amine
PubChem CID104802758
Molecular FormulaC16H19BrN2S
Molecular Weight351.31 g/mol
Exact Mass350.05
IUPAC Name1-(5-bromo-3-pyridinyl)-N-methyl-3-(2-methylphenyl)sulfanylpropan-2-amine
SMILESCNC(CSc1ccccc1C)Cc1cncc(Br)c1
InChIInChI=1S/C16H19BrN2S/c1-12-5-3-4-6-16(12)20-11-15(18-2)8-13-7-14(17)10-19-9-13/h3-7,9-10,15,18H,8,11H2,1-2H3
InChIKeyUQHQNYUDULRMMV-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-[(2-methylphenyl)sulfanylmethyl]pyridine
CID 115590101
1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144658
1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 66143104
1-(2-bromophenyl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 66143687
N-methyl-1-(2-methylphenyl)sulfanyl-3-thiophen-2-ylpropan-2-amine
CID 66097582
1-(5-bromo-3-pyridinyl)-N-methylnonan-2-amine
CID 105036982
1-(3-bromophenyl)sulfanyl-N-methyl-3-phenylpropan-2-amine
CID 66160792
1-(3-bromo-5-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 79700055
3-(methylamino)-4-(2-methylphenyl)sulfanylbutan-1-ol
CID 64927552
3-bromo-5-[2-(bromomethyl)-3-(2-methylphenyl)propyl]pyridine
CID 113456098
N-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 79761270
1-(2-fluorophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 66053086

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-N-methyl-3-(2-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-N-methyl-3-(2-methylphenyl)sulfanylpropan-2-amine (CID 104802758) is 1-(5-bromo-3-pyridinyl)-N-methyl-3-(2-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-N-methyl-3-(2-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-N-methyl-3-(2-methylphenyl)sulfanylpropan-2-amine is CNC(CSc1ccccc1C)Cc1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-N-methyl-3-(2-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is UQHQNYUDULRMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2S/c1-12-5-3-4-6-16(12)20-11-15(18-2)8-13-7-14(17)10-19-9-13/h3-7,9-10,15,18H,8,11H2,1-2H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-N-methyl-3-(2-methylphenyl)sulfanylpropan-2-amine?
1-(5-bromo-3-pyridinyl)-N-methyl-3-(2-methylphenyl)sulfanylpropan-2-amine has a molecular weight of 351.31 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-N-methyl-3-(2-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 104802758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).