1-[4-(2-methylpropyl)phenyl]-2-(thiolan-3-ylmethylamino)ethanol

C17H27NOS — CID 107295710

IUPAC1-[4-(2-methylpropyl)phenyl]-2-(thiolan-3-ylmethylamino)ethanol
SMILESCC(C)Cc1ccc(C(O)CNCC2CCSC2)cc1
InChIInChI=1S/C17H27NOS/c1-13(2)9-14-3-5-16(6-4-14)17(19)11-18-10-15-7-8-20-12-15/h3-6,13,15,17-19H,7-12H2,1-2H3
InChIKeyBIJYJYIXULBLJF-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.26
Rot. Bonds7

About 1-[4-(2-methylpropyl)phenyl]-2-(thiolan-3-ylmethylamino)ethanol

1-[4-(2-methylpropyl)phenyl]-2-(thiolan-3-ylmethylamino)ethanol (PubChem CID 107295710) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-2-(thiolan-3-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-2-(thiolan-3-ylmethylamino)ethanol
PubChem CID107295710
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name1-[4-(2-methylpropyl)phenyl]-2-(thiolan-3-ylmethylamino)ethanol
SMILESCC(C)Cc1ccc(C(O)CNCC2CCSC2)cc1
InChIInChI=1S/C17H27NOS/c1-13(2)9-14-3-5-16(6-4-14)17(19)11-18-10-15-7-8-20-12-15/h3-6,13,15,17-19H,7-12H2,1-2H3
InChIKeyBIJYJYIXULBLJF-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]propan-2-ol
CID 60909721
1-[4-(2-methylpropyl)phenyl]-2-(prop-2-ynylamino)ethanol
CID 60903530
1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol
CID 60896684
5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]pentan-2-ol
CID 106130457
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60904141
4-[2-(thiolan-3-ylmethylamino)propyl]phenol
CID 107166188
1-[4-(2-methylpropyl)phenyl]-2-(2,3,3-trimethylbutylamino)ethanol
CID 83142065
1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 60903668
4-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-methylbutan-1-ol
CID 66091850
2-(3-methylbut-2-enylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 106188249
1-[4-(2-methylpropyl)phenyl]-2-(4,4,4-trifluorobutylamino)ethanol
CID 115518399
5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-methylpentan-1-ol
CID 106160005

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-2-(thiolan-3-ylmethylamino)ethanol?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-2-(thiolan-3-ylmethylamino)ethanol (CID 107295710) is 1-[4-(2-methylpropyl)phenyl]-2-(thiolan-3-ylmethylamino)ethanol.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-2-(thiolan-3-ylmethylamino)ethanol?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-2-(thiolan-3-ylmethylamino)ethanol is CC(C)Cc1ccc(C(O)CNCC2CCSC2)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-2-(thiolan-3-ylmethylamino)ethanol?
The InChIKey is BIJYJYIXULBLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-13(2)9-14-3-5-16(6-4-14)17(19)11-18-10-15-7-8-20-12-15/h3-6,13,15,17-19H,7-12H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-2-(thiolan-3-ylmethylamino)ethanol?
1-[4-(2-methylpropyl)phenyl]-2-(thiolan-3-ylmethylamino)ethanol has a molecular weight of 293.48 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-2-(thiolan-3-ylmethylamino)ethanol is sourced from PubChem (CID 107295710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).