2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine

C12H16F3NS — CID 64634045

IUPAC2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC(C)SCC(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NS/c1-8(2)17-7-11(16)9-4-3-5-10(6-9)12(13,14)15/h3-6,8,11H,7,16H2,1-2H3
InChIKeyCPZXFTUIUJLNBF-UHFFFAOYSA-N
MW263.33 g/mol
LogP3.85
Rot. Bonds4

About 2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine

2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 64634045) has the molecular formula C12H16F3NS and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID64634045
Molecular FormulaC12H16F3NS
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC(C)SCC(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NS/c1-8(2)17-7-11(16)9-4-3-5-10(6-9)12(13,14)15/h3-6,8,11H,7,16H2,1-2H3
InChIKeyCPZXFTUIUJLNBF-UHFFFAOYSA-N
XLogP3.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64619482
(1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171226375
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
(1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171206800
N'-methyl-N'-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54938195
2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 166520305
N-ethyl-2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64633057
1-[2-methyl-4-(trifluoromethyl)phenyl]-2-propan-2-ylsulfanylethanamine
CID 102754214
(1R)-3-methyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171206817
2-(1-methyltetrazol-5-yl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64620794
ethyl 2-[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanylacetate
CID 64612931
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 64634045) is 2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine is CC(C)SCC(N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is CPZXFTUIUJLNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NS/c1-8(2)17-7-11(16)9-4-3-5-10(6-9)12(13,14)15/h3-6,8,11H,7,16H2,1-2H3.
What are the key properties of 2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 263.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 64634045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).