(2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine

C12H16F3N — CID 95029864

IUPAC(2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
SMILESCCN[C@@H](C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3N/c1-3-16-9(2)8-10-6-4-5-7-11(10)12(13,14)15/h4-7,9,16H,3,8H2,1-2H3/t9-/m0/s1
InChIKeyLKXHYVPQOWESNG-VIFPVBQESA-N
MW231.26 g/mol
LogP3.25
Rot. Bonds4

About (2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine

(2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 95029864) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is (2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID95029864
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name(2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
SMILESCCN[C@@H](C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3N/c1-3-16-9(2)8-10-6-4-5-7-11(10)12(13,14)15/h4-7,9,16H,3,8H2,1-2H3/t9-/m0/s1
InChIKeyLKXHYVPQOWESNG-VIFPVBQESA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 64715335
N-ethyl-1-(2-methylphenyl)propan-2-amine
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4-ethylsulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 115907731
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N-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine
CID 43220747
1-(3-hydroxypentyl)-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 110024617
2-(methylsulfamoyl)-N-[(2S)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]acetamide
CID 97347801
1-(2-bromo-3,3-dimethylbutyl)-2-(trifluoromethyl)benzene
CID 63530722
N-ethyl-1-(2-ethylsulfonylphenyl)propan-2-amine
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CID 120552775

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of (2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine (CID 95029864) is (2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for (2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for (2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine is CCN[C@@H](C)Cc1ccccc1C(F)(F)F.
What is the InChIKey of (2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is LKXHYVPQOWESNG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16F3N/c1-3-16-9(2)8-10-6-4-5-7-11(10)12(13,14)15/h4-7,9,16H,3,8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine?
(2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 231.26 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 95029864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).