4-(3-fluoro-5-methylphenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol

C21H28FNOS — CID 143083225

IUPAC4-(3-fluoro-5-methylphenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol
SMILESCc1cc(F)cc(CCC(O)CNC2(c3ccsc3)CCCCC2)c1
InChIInChI=1S/C21H28FNOS/c1-16-11-17(13-19(22)12-16)5-6-20(24)14-23-21(8-3-2-4-9-21)18-7-10-25-15-18/h7,10-13,15,20,23-24H,2-6,8-9,14H2,1H3
InChIKeyGSSKKFXGWWSCPI-UHFFFAOYSA-N
MW361.53 g/mol
LogP4.94
Rot. Bonds7

About 4-(3-fluoro-5-methylphenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol

4-(3-fluoro-5-methylphenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol (PubChem CID 143083225) has the molecular formula C21H28FNOS and a molecular weight of 361.53 g/mol. Its IUPAC name is 4-(3-fluoro-5-methylphenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-(3-fluoro-5-methylphenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol
PubChem CID143083225
Molecular FormulaC21H28FNOS
Molecular Weight361.53 g/mol
Exact Mass361.19
IUPAC Name4-(3-fluoro-5-methylphenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol
SMILESCc1cc(F)cc(CCC(O)CNC2(c3ccsc3)CCCCC2)c1
InChIInChI=1S/C21H28FNOS/c1-16-11-17(13-19(22)12-16)5-6-20(24)14-23-21(8-3-2-4-9-21)18-7-10-25-15-18/h7,10-13,15,20,23-24H,2-6,8-9,14H2,1H3
InChIKeyGSSKKFXGWWSCPI-UHFFFAOYSA-N
XLogP4.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methylphenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol?
The IUPAC name of 4-(3-fluoro-5-methylphenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol (CID 143083225) is 4-(3-fluoro-5-methylphenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol.
What is the SMILES notation for 4-(3-fluoro-5-methylphenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol?
The canonical SMILES for 4-(3-fluoro-5-methylphenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol is Cc1cc(F)cc(CCC(O)CNC2(c3ccsc3)CCCCC2)c1.
What is the InChIKey of 4-(3-fluoro-5-methylphenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol?
The InChIKey is GSSKKFXGWWSCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FNOS/c1-16-11-17(13-19(22)12-16)5-6-20(24)14-23-21(8-3-2-4-9-21)18-7-10-25-15-18/h7,10-13,15,20,23-24H,2-6,8-9,14H2,1H3.
What are the key properties of 4-(3-fluoro-5-methylphenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol?
4-(3-fluoro-5-methylphenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol has a molecular weight of 361.53 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methylphenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol is sourced from PubChem (CID 143083225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).