N-[(4-bromo-2-pyridin-2-ylsulfanylphenyl)methyl]-2-methylpropan-2-amine

C16H19BrN2S — CID 63806322

IUPACN-[(4-bromo-2-pyridin-2-ylsulfanylphenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Br)cc1Sc1ccccn1
InChIInChI=1S/C16H19BrN2S/c1-16(2,3)19-11-12-7-8-13(17)10-14(12)20-15-6-4-5-9-18-15/h4-10,19H,11H2,1-3H3
InChIKeyQFTATAFFWMTXQV-UHFFFAOYSA-N
MW351.31 g/mol
LogP4.88
Rot. Bonds4

About N-[(4-bromo-2-pyridin-2-ylsulfanylphenyl)methyl]-2-methylpropan-2-amine

N-[(4-bromo-2-pyridin-2-ylsulfanylphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 63806322) has the molecular formula C16H19BrN2S and a molecular weight of 351.31 g/mol. Its IUPAC name is N-[(4-bromo-2-pyridin-2-ylsulfanylphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-pyridin-2-ylsulfanylphenyl)methyl]-2-methylpropan-2-amine
PubChem CID63806322
Molecular FormulaC16H19BrN2S
Molecular Weight351.31 g/mol
Exact Mass350.05
IUPAC NameN-[(4-bromo-2-pyridin-2-ylsulfanylphenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Br)cc1Sc1ccccn1
InChIInChI=1S/C16H19BrN2S/c1-16(2,3)19-11-12-7-8-13(17)10-14(12)20-15-6-4-5-9-18-15/h4-10,19H,11H2,1-3H3
InChIKeyQFTATAFFWMTXQV-UHFFFAOYSA-N
XLogP4.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-bromo-2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63807631
N-[(4-bromo-2-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine
CID 55240564
1-(4-bromo-2-pyrazin-2-ylsulfanylphenyl)-N-methylmethanamine
CID 63809878
N-[[2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63809395
N-[(4-chloro-2-pyridin-2-ylsulfanylphenyl)methyl]ethanamine
CID 114864071
N-[[2-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63807824
1-(4-bromo-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 63805212
N-[(5-bromo-2-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine
CID 114062029
1-[4-bromo-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine
CID 63809493
N-[[4-bromo-2-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-1-amine
CID 63814516
N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine
CID 107445925
N-[[4-bromo-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
CID 63807555

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-pyridin-2-ylsulfanylphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(4-bromo-2-pyridin-2-ylsulfanylphenyl)methyl]-2-methylpropan-2-amine (CID 63806322) is N-[(4-bromo-2-pyridin-2-ylsulfanylphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4-bromo-2-pyridin-2-ylsulfanylphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4-bromo-2-pyridin-2-ylsulfanylphenyl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(Br)cc1Sc1ccccn1.
What is the InChIKey of N-[(4-bromo-2-pyridin-2-ylsulfanylphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is QFTATAFFWMTXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2S/c1-16(2,3)19-11-12-7-8-13(17)10-14(12)20-15-6-4-5-9-18-15/h4-10,19H,11H2,1-3H3.
What are the key properties of N-[(4-bromo-2-pyridin-2-ylsulfanylphenyl)methyl]-2-methylpropan-2-amine?
N-[(4-bromo-2-pyridin-2-ylsulfanylphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 351.31 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-pyridin-2-ylsulfanylphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63806322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).