5-ethyl-2-(2-fluorophenyl)-5-methylsulfanyl-3,4-dihydro-2H-pyridin-6-amine;fluoromethane

C15H22F2N2S — CID 145279661

IUPAC5-ethyl-2-(2-fluorophenyl)-5-methylsulfanyl-3,4-dihydro-2H-pyridin-6-amine;fluoromethane
SMILESCCC1(SC)CCC(c2ccccc2F)N=C1N.CF
InChIInChI=1S/C14H19FN2S.CH3F/c1-3-14(18-2)9-8-12(17-13(14)16)10-6-4-5-7-11(10)15;1-2/h4-7,12H,3,8-9H2,1-2H3,(H2,16,17);1H3
InChIKeyLVNBVTAZDHTOOQ-UHFFFAOYSA-N
MW300.42 g/mol
LogP4.12
Rot. Bonds3

About 5-ethyl-2-(2-fluorophenyl)-5-methylsulfanyl-3,4-dihydro-2H-pyridin-6-amine;fluoromethane

5-ethyl-2-(2-fluorophenyl)-5-methylsulfanyl-3,4-dihydro-2H-pyridin-6-amine;fluoromethane (PubChem CID 145279661) has the molecular formula C15H22F2N2S and a molecular weight of 300.42 g/mol. Its IUPAC name is 5-ethyl-2-(2-fluorophenyl)-5-methylsulfanyl-3,4-dihydro-2H-pyridin-6-amine;fluoromethane.

Molecular Properties

Compound Name5-ethyl-2-(2-fluorophenyl)-5-methylsulfanyl-3,4-dihydro-2H-pyridin-6-amine;fluoromethane
PubChem CID145279661
Molecular FormulaC15H22F2N2S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name5-ethyl-2-(2-fluorophenyl)-5-methylsulfanyl-3,4-dihydro-2H-pyridin-6-amine;fluoromethane
SMILESCCC1(SC)CCC(c2ccccc2F)N=C1N.CF
InChIInChI=1S/C14H19FN2S.CH3F/c1-3-14(18-2)9-8-12(17-13(14)16)10-6-4-5-7-11(10)15;1-2/h4-7,12H,3,8-9H2,1-2H3,(H2,16,17);1H3
InChIKeyLVNBVTAZDHTOOQ-UHFFFAOYSA-N
XLogP4.12
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-2-(5-bromo-2-fluorophenyl)-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile;fluoromethane
CID 145279658
4-(2-fluorophenyl)-6-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine
CID 144673057
3,3-difluoro-2-(2-fluorophenyl)-5-methyl-5-methylsulfonyl-2,4-dihydropyridin-6-amine
CID 126733915
3-(2,3-difluorophenyl)-6,6-dimethyl-2,3-dihydro-1,4-thiazin-5-amine
CID 126633706
(4R)-4-(2-fluorophenyl)-3,3-dimethylpyrrolidine
CID 124671045
2-(2-fluorophenyl)-5,5-dimethyl-1,3-dioxane
CID 174359153
(4S,6R)-4-(2-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 102385604
6-(2-fluorophenyl)-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride
CID 103318033
(4S,6R)-4-(2-fluorophenyl)-6-(4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 11566234
(2-ethyl-2-methylcyclobutyl)benzene
CID 173466674
5-(2-fluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242531
(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 97103179

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-fluorophenyl)-5-methylsulfanyl-3,4-dihydro-2H-pyridin-6-amine;fluoromethane?
The IUPAC name of 5-ethyl-2-(2-fluorophenyl)-5-methylsulfanyl-3,4-dihydro-2H-pyridin-6-amine;fluoromethane (CID 145279661) is 5-ethyl-2-(2-fluorophenyl)-5-methylsulfanyl-3,4-dihydro-2H-pyridin-6-amine;fluoromethane.
What is the SMILES notation for 5-ethyl-2-(2-fluorophenyl)-5-methylsulfanyl-3,4-dihydro-2H-pyridin-6-amine;fluoromethane?
The canonical SMILES for 5-ethyl-2-(2-fluorophenyl)-5-methylsulfanyl-3,4-dihydro-2H-pyridin-6-amine;fluoromethane is CCC1(SC)CCC(c2ccccc2F)N=C1N.CF.
What is the InChIKey of 5-ethyl-2-(2-fluorophenyl)-5-methylsulfanyl-3,4-dihydro-2H-pyridin-6-amine;fluoromethane?
The InChIKey is LVNBVTAZDHTOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2S.CH3F/c1-3-14(18-2)9-8-12(17-13(14)16)10-6-4-5-7-11(10)15;1-2/h4-7,12H,3,8-9H2,1-2H3,(H2,16,17);1H3.
What are the key properties of 5-ethyl-2-(2-fluorophenyl)-5-methylsulfanyl-3,4-dihydro-2H-pyridin-6-amine;fluoromethane?
5-ethyl-2-(2-fluorophenyl)-5-methylsulfanyl-3,4-dihydro-2H-pyridin-6-amine;fluoromethane has a molecular weight of 300.42 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-fluorophenyl)-5-methylsulfanyl-3,4-dihydro-2H-pyridin-6-amine;fluoromethane is sourced from PubChem (CID 145279661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).