[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexyl]methanamine

C14H19F3N2S — CID 43530456

IUPAC[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexyl]methanamine
SMILESCC1CCC(CN)C(Sc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C14H19F3N2S/c1-9-2-3-10(7-18)12(6-9)20-13-5-4-11(8-19-13)14(15,16)17/h4-5,8-10,12H,2-3,6-7,18H2,1H3
InChIKeyFRZXNLBVWGAALG-UHFFFAOYSA-N
MW304.38 g/mol
LogP3.96
Rot. Bonds3

About [4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexyl]methanamine

[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexyl]methanamine (PubChem CID 43530456) has the molecular formula C14H19F3N2S and a molecular weight of 304.38 g/mol. Its IUPAC name is [4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexyl]methanamine
PubChem CID43530456
Molecular FormulaC14H19F3N2S
Molecular Weight304.38 g/mol
Exact Mass304.12
IUPAC Name[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexyl]methanamine
SMILESCC1CCC(CN)C(Sc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C14H19F3N2S/c1-9-2-3-10(7-18)12(6-9)20-13-5-4-11(8-19-13)14(15,16)17/h4-5,8-10,12H,2-3,6-7,18H2,1H3
InChIKeyFRZXNLBVWGAALG-UHFFFAOYSA-N
XLogP3.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexyl]methanamine?
The IUPAC name of [4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexyl]methanamine (CID 43530456) is [4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexyl]methanamine is CC1CCC(CN)C(Sc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of [4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexyl]methanamine?
The InChIKey is FRZXNLBVWGAALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2S/c1-9-2-3-10(7-18)12(6-9)20-13-5-4-11(8-19-13)14(15,16)17/h4-5,8-10,12H,2-3,6-7,18H2,1H3.
What are the key properties of [4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexyl]methanamine?
[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexyl]methanamine has a molecular weight of 304.38 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexyl]methanamine is sourced from PubChem (CID 43530456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).