1-(dimethylamino)-2-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-2-ol

C9H19F3N2OS — CID 106147811

IUPAC1-(dimethylamino)-2-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-2-ol
SMILESCN(C)CC(C)(O)CNCCSC(F)(F)F
InChIInChI=1S/C9H19F3N2OS/c1-8(15,7-14(2)3)6-13-4-5-16-9(10,11)12/h13,15H,4-7H2,1-3H3
InChIKeyYABHQPRWVWGETJ-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.14
Rot. Bonds7

About 1-(dimethylamino)-2-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-2-ol

1-(dimethylamino)-2-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-2-ol (PubChem CID 106147811) has the molecular formula C9H19F3N2OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-2-ol
PubChem CID106147811
Molecular FormulaC9H19F3N2OS
Molecular Weight260.32 g/mol
Exact Mass260.12
IUPAC Name1-(dimethylamino)-2-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-2-ol
SMILESCN(C)CC(C)(O)CNCCSC(F)(F)F
InChIInChI=1S/C9H19F3N2OS/c1-8(15,7-14(2)3)6-13-4-5-16-9(10,11)12/h13,15H,4-7H2,1-3H3
InChIKeyYABHQPRWVWGETJ-UHFFFAOYSA-N
XLogP1.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,1-Difluoropropan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 103096917
1-(Dimethylamino)-2-methyl-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 106147551
1-(2,2-Difluoroethylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106147602
2,3-Dimethyl-3-[2-(trifluoromethylsulfanyl)ethylamino]butan-2-ol
CID 106190171
1-(2-Fluoroethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246870
1-(3-Fluoropropylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246949
2-Methyl-1-methylsulfanyl-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 106246965
2-Methyl-1-methylsulfanyl-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 106247049
2-Methyl-1-methylsulfanyl-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 106247051
1-(2,2-Difluoroethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247103
3,3,3-Trifluoro-2-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]propanenitrile
CID 106247203
2-Methyl-1-methylsulfanyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-2-ol
CID 106247332

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-2-ol (CID 106147811) is 1-(dimethylamino)-2-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-2-ol is CN(C)CC(C)(O)CNCCSC(F)(F)F.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-2-ol?
The InChIKey is YABHQPRWVWGETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2OS/c1-8(15,7-14(2)3)6-13-4-5-16-9(10,11)12/h13,15H,4-7H2,1-3H3.
What are the key properties of 1-(dimethylamino)-2-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-2-ol?
1-(dimethylamino)-2-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-2-ol has a molecular weight of 260.32 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-2-ol is sourced from PubChem (CID 106147811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).