2-methyl-1-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-amine

C12H16F3NS — CID 66224015

IUPAC2-methyl-1-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-amine
SMILESCC(C)(N)CSCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3NS/c1-11(2,16)8-17-7-9-3-5-10(6-4-9)12(13,14)15/h3-6H,7-8,16H2,1-2H3
InChIKeyBHOFMIRENUVLCY-UHFFFAOYSA-N
MW263.33 g/mol
LogP3.68
Rot. Bonds4

About 2-methyl-1-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-amine

2-methyl-1-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-amine (PubChem CID 66224015) has the molecular formula C12H16F3NS and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-methyl-1-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-amine
PubChem CID66224015
Molecular FormulaC12H16F3NS
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name2-methyl-1-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-amine
SMILESCC(C)(N)CSCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3NS/c1-11(2,16)8-17-7-9-3-5-10(6-4-9)12(13,14)15/h3-6H,7-8,16H2,1-2H3
InChIKeyBHOFMIRENUVLCY-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(propylsulfanylmethyl)-4-(trifluoromethyl)benzene
CID 152973015
4-[(2-amino-2-methylpropyl)sulfanylmethyl]benzonitrile
CID 66230183
[4-(trifluoromethyl)phenyl]methylsulfanylmethanethiol
CID 170066033
3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propane-1,2-diol
CID 79682663
2-methyl-1-(thiophen-3-ylmethylsulfanyl)propan-2-amine
CID 66229730
2-[4-(methylsulfanylmethyl)phenyl]propan-2-amine
CID 130655522
1-[(4-imidazol-1-ylphenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 66230899
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 173297949
1-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 114833903
2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62740976

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-amine?
The IUPAC name of 2-methyl-1-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-amine (CID 66224015) is 2-methyl-1-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-amine is CC(C)(N)CSCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-1-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-amine?
The InChIKey is BHOFMIRENUVLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NS/c1-11(2,16)8-17-7-9-3-5-10(6-4-9)12(13,14)15/h3-6H,7-8,16H2,1-2H3.
What are the key properties of 2-methyl-1-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-amine?
2-methyl-1-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-amine has a molecular weight of 263.33 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-amine is sourced from PubChem (CID 66224015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).