2-[2-(1,1,1-trifluoropropan-2-yl)phenyl]ethanamine

C11H14F3N — CID 115029972

IUPAC2-[2-(1,1,1-trifluoropropan-2-yl)phenyl]ethanamine
SMILESCC(c1ccccc1CCN)C(F)(F)F
InChIInChI=1S/C11H14F3N/c1-8(11(12,13)14)10-5-3-2-4-9(10)6-7-15/h2-5,8H,6-7,15H2,1H3
InChIKeyIEXWGLPHJHFEEC-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.85
Rot. Bonds3

About 2-[2-(1,1,1-trifluoropropan-2-yl)phenyl]ethanamine

2-[2-(1,1,1-trifluoropropan-2-yl)phenyl]ethanamine (PubChem CID 115029972) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-[2-(1,1,1-trifluoropropan-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(1,1,1-trifluoropropan-2-yl)phenyl]ethanamine
PubChem CID115029972
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name2-[2-(1,1,1-trifluoropropan-2-yl)phenyl]ethanamine
SMILESCC(c1ccccc1CCN)C(F)(F)F
InChIInChI=1S/C11H14F3N/c1-8(11(12,13)14)10-5-3-2-4-9(10)6-7-15/h2-5,8H,6-7,15H2,1H3
InChIKeyIEXWGLPHJHFEEC-UHFFFAOYSA-N
XLogP2.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 152709650
2,6-bis(1,1,1-trifluoropropan-2-yl)phenol
CID 24760546
4-[2-(3-aminopropyl)phenyl]pentan-1-amine
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1-[2-(2-aminoethyl)phenyl]but-3-en-1-amine
CID 55272095
2-(2-propan-2-yloxyphenyl)ethanamine
CID 22379502
ethane;2-(2-methylphenyl)ethanamine
CID 91237349
(2-propan-2-ylphenyl)methanamine
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azane;2-(2-chlorophenyl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1,1-trifluoropropan-2-yl)phenyl]ethanamine?
The IUPAC name of 2-[2-(1,1,1-trifluoropropan-2-yl)phenyl]ethanamine (CID 115029972) is 2-[2-(1,1,1-trifluoropropan-2-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(1,1,1-trifluoropropan-2-yl)phenyl]ethanamine?
The canonical SMILES for 2-[2-(1,1,1-trifluoropropan-2-yl)phenyl]ethanamine is CC(c1ccccc1CCN)C(F)(F)F.
What is the InChIKey of 2-[2-(1,1,1-trifluoropropan-2-yl)phenyl]ethanamine?
The InChIKey is IEXWGLPHJHFEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-8(11(12,13)14)10-5-3-2-4-9(10)6-7-15/h2-5,8H,6-7,15H2,1H3.
What are the key properties of 2-[2-(1,1,1-trifluoropropan-2-yl)phenyl]ethanamine?
2-[2-(1,1,1-trifluoropropan-2-yl)phenyl]ethanamine has a molecular weight of 217.23 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1,1-trifluoropropan-2-yl)phenyl]ethanamine is sourced from PubChem (CID 115029972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).