[2-(2,4-difluorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine

C15H21F2NS — CID 43529895

IUPAC[2-(2,4-difluorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Sc2ccc(F)cc2F)C1
InChIInChI=1S/C15H21F2NS/c1-2-10-3-4-11(9-18)15(7-10)19-14-6-5-12(16)8-13(14)17/h5-6,8,10-11,15H,2-4,7,9,18H2,1H3
InChIKeyAUMVVPSLZXJOED-UHFFFAOYSA-N
MW285.40 g/mol
LogP4.21
Rot. Bonds4

About [2-(2,4-difluorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine

[2-(2,4-difluorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine (PubChem CID 43529895) has the molecular formula C15H21F2NS and a molecular weight of 285.40 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine
PubChem CID43529895
Molecular FormulaC15H21F2NS
Molecular Weight285.40 g/mol
Exact Mass285.14
IUPAC Name[2-(2,4-difluorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Sc2ccc(F)cc2F)C1
InChIInChI=1S/C15H21F2NS/c1-2-10-3-4-11(9-18)15(7-10)19-14-6-5-12(16)8-13(14)17/h5-6,8,10-11,15H,2-4,7,9,18H2,1H3
InChIKeyAUMVVPSLZXJOED-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine?
The IUPAC name of [2-(2,4-difluorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine (CID 43529895) is [2-(2,4-difluorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2,4-difluorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [2-(2,4-difluorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)C(Sc2ccc(F)cc2F)C1.
What is the InChIKey of [2-(2,4-difluorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine?
The InChIKey is AUMVVPSLZXJOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NS/c1-2-10-3-4-11(9-18)15(7-10)19-14-6-5-12(16)8-13(14)17/h5-6,8,10-11,15H,2-4,7,9,18H2,1H3.
What are the key properties of [2-(2,4-difluorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine?
[2-(2,4-difluorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine has a molecular weight of 285.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 43529895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).