6-(3-methoxypropylsulfanyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine

C13H19F3N2OS — CID 102720359

IUPAC6-(3-methoxypropylsulfanyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(SCCCOC)n1
InChIInChI=1S/C13H19F3N2OS/c1-3-5-17-11-8-10(13(14,15)16)9-12(18-11)20-7-4-6-19-2/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyWFFJXLMGMANRRC-UHFFFAOYSA-N
MW308.37 g/mol
LogP4.05
Rot. Bonds8

About 6-(3-methoxypropylsulfanyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine

6-(3-methoxypropylsulfanyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720359) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 6-(3-methoxypropylsulfanyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(3-methoxypropylsulfanyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720359
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC Name6-(3-methoxypropylsulfanyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(SCCCOC)n1
InChIInChI=1S/C13H19F3N2OS/c1-3-5-17-11-8-10(13(14,15)16)9-12(18-11)20-7-4-6-19-2/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyWFFJXLMGMANRRC-UHFFFAOYSA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxypropylsulfanyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566851
6-(3-methoxypropylsulfanyl)-N-propylpyrazin-2-amine
CID 80890057
N-ethyl-6-(3-methoxypropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775212
2-methyl-3-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
CID 102720380
6-cyclopentylsulfanyl-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720339
6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine
CID 80947939
6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 113401713
6-(4-methylpentoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719649
2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717325
6-(3,3-dimethylbutoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720042
6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720293
6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720410

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropylsulfanyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(3-methoxypropylsulfanyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine (CID 102720359) is 6-(3-methoxypropylsulfanyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(3-methoxypropylsulfanyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(3-methoxypropylsulfanyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine is CCCNc1cc(C(F)(F)F)cc(SCCCOC)n1.
What is the InChIKey of 6-(3-methoxypropylsulfanyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WFFJXLMGMANRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-3-5-17-11-8-10(13(14,15)16)9-12(18-11)20-7-4-6-19-2/h8-9H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 6-(3-methoxypropylsulfanyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
6-(3-methoxypropylsulfanyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 308.37 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropylsulfanyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).