4-methyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-2-ol

C14H20F3NOS — CID 111448770

IUPAC4-methyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-2-ol
SMILESCC(O)CC(C)CNCc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NOS/c1-10(7-11(2)19)8-18-9-12-3-5-13(6-4-12)20-14(15,16)17/h3-6,10-11,18-19H,7-9H2,1-2H3
InChIKeyFRZGVBRARCUOFB-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.80
Rot. Bonds7

About 4-methyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-2-ol

4-methyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-2-ol (PubChem CID 111448770) has the molecular formula C14H20F3NOS and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-methyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-2-ol
PubChem CID111448770
Molecular FormulaC14H20F3NOS
Molecular Weight307.38 g/mol
Exact Mass307.12
IUPAC Name4-methyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-2-ol
SMILESCC(O)CC(C)CNCc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NOS/c1-10(7-11(2)19)8-18-9-12-3-5-13(6-4-12)20-14(15,16)17/h3-6,10-11,18-19H,7-9H2,1-2H3
InChIKeyFRZGVBRARCUOFB-UHFFFAOYSA-N
XLogP3.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 29298157
2-methylsulfanyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 115757686
3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]propane-1,2-diol
CID 66176743
2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 115405900
2-methylsulfinyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 115764125
1-(4-methylphenyl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine
CID 29273379
N-(2-methylpropyl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]acetamide
CID 115621832
2-methyl-1-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]propan-2-ol
CID 63933936
5-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]hexan-1-amine
CID 115324925
5-[(4-chloro-3-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 111448821
2-methylsulfanyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 60699399
4-methyl-5-[(4-prop-2-ynoxyphenyl)methylamino]pentan-2-ol
CID 111448736

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-2-ol?
The IUPAC name of 4-methyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-2-ol (CID 111448770) is 4-methyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-2-ol.
What is the SMILES notation for 4-methyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-2-ol?
The canonical SMILES for 4-methyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-2-ol is CC(O)CC(C)CNCc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 4-methyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-2-ol?
The InChIKey is FRZGVBRARCUOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NOS/c1-10(7-11(2)19)8-18-9-12-3-5-13(6-4-12)20-14(15,16)17/h3-6,10-11,18-19H,7-9H2,1-2H3.
What are the key properties of 4-methyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-2-ol?
4-methyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-2-ol has a molecular weight of 307.38 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-2-ol is sourced from PubChem (CID 111448770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).