2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-4-amine

C9H11F3N2S — CID 103512470

IUPAC2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-4-amine
SMILESCc1cc(NCCSC(F)(F)F)ccn1
InChIInChI=1S/C9H11F3N2S/c1-7-6-8(2-3-13-7)14-4-5-15-9(10,11)12/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyMODCCTGXNSBDEZ-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.05
Rot. Bonds4

About 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-4-amine

2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-4-amine (PubChem CID 103512470) has the molecular formula C9H11F3N2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-4-amine
PubChem CID103512470
Molecular FormulaC9H11F3N2S
Molecular Weight236.26 g/mol
Exact Mass236.06
IUPAC Name2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-4-amine
SMILESCc1cc(NCCSC(F)(F)F)ccn1
InChIInChI=1S/C9H11F3N2S/c1-7-6-8(2-3-13-7)14-4-5-15-9(10,11)12/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyMODCCTGXNSBDEZ-UHFFFAOYSA-N
XLogP3.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine
CID 106433901
2-methyl-N-propylpyridin-4-amine
CID 79240818
N-[2-(3,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine
CID 113482614
2-[2-(trifluoromethylsulfanyl)ethylamino]pyridine-4-carbonitrile
CID 106428707
N-(2-methyl-4-pyridinyl)-N',N'-di(propan-2-yl)propane-1,3-diamine
CID 133492181
2,2-dimethyl-N-(2-methyl-4-pyridinyl)butane-1,4-diamine
CID 106142118
N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 116615427
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-4-amine
CID 106404416
5-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine
CID 106426462
N-[2-(2,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine
CID 133492320
2-methoxy-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine
CID 114187380
N-[(E)-but-2-enyl]-2-methylpyridin-4-amine
CID 131243959

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-4-amine?
The IUPAC name of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-4-amine (CID 103512470) is 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-4-amine.
What is the SMILES notation for 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-4-amine?
The canonical SMILES for 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-4-amine is Cc1cc(NCCSC(F)(F)F)ccn1.
What is the InChIKey of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-4-amine?
The InChIKey is MODCCTGXNSBDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2S/c1-7-6-8(2-3-13-7)14-4-5-15-9(10,11)12/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-4-amine?
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-4-amine has a molecular weight of 236.26 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-4-amine is sourced from PubChem (CID 103512470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).