N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine

C16H20N2S — CID 102926128

IUPACN-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Sc2cc(C)cc(C)n2)cc1
InChIInChI=1S/C16H20N2S/c1-4-17-11-14-5-7-15(8-6-14)19-16-10-12(2)9-13(3)18-16/h5-10,17H,4,11H2,1-3H3
InChIKeyQZACFBUAFZWBTF-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.96
Rot. Bonds5

About N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine

N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine (PubChem CID 102926128) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine
PubChem CID102926128
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Sc2cc(C)cc(C)n2)cc1
InChIInChI=1S/C16H20N2S/c1-4-17-11-14-5-7-15(8-6-14)19-16-10-12(2)9-13(3)18-16/h5-10,17H,4,11H2,1-3H3
InChIKeyQZACFBUAFZWBTF-UHFFFAOYSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102926160
N-[[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine
CID 102926107
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzoic acid
CID 102924507
N-[[4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
CID 55239647
N-[[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
CID 55239257
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
N-benzyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102925922
N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 102926136
N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80639477
N-[[4-(2,5-dichlorophenyl)sulfanylphenyl]methyl]ethanamine
CID 55240767
N-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine
CID 63809220
ethyl 2-amino-5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzoate
CID 102925455

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine (CID 102926128) is N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine is CCNCc1ccc(Sc2cc(C)cc(C)n2)cc1.
What is the InChIKey of N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine?
The InChIKey is QZACFBUAFZWBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-4-17-11-14-5-7-15(8-6-14)19-16-10-12(2)9-13(3)18-16/h5-10,17H,4,11H2,1-3H3.
What are the key properties of N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine?
N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine has a molecular weight of 272.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 102926128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).