2,2,2-trifluoro-N-[(4-methylphenyl)methyl]ethanamine

C10H12F3N — CID 24703976

IUPAC2,2,2-trifluoro-N-[(4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(CNCC(F)(F)F)cc1
InChIInChI=1S/C10H12F3N/c1-8-2-4-9(5-3-8)6-14-7-10(11,12)13/h2-5,14H,6-7H2,1H3
InChIKeyJCTHOJVHAWNUEL-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.65
Rot. Bonds3

About 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]ethanamine

2,2,2-trifluoro-N-[(4-methylphenyl)methyl]ethanamine (PubChem CID 24703976) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-methylphenyl)methyl]ethanamine
PubChem CID24703976
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name2,2,2-trifluoro-N-[(4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(CNCC(F)(F)F)cc1
InChIInChI=1S/C10H12F3N/c1-8-2-4-9(5-3-8)6-14-7-10(11,12)13/h2-5,14H,6-7H2,1H3
InChIKeyJCTHOJVHAWNUEL-UHFFFAOYSA-N
XLogP2.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]ethanamine (CID 24703976) is 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]ethanamine is Cc1ccc(CNCC(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]ethanamine?
The InChIKey is JCTHOJVHAWNUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-8-2-4-9(5-3-8)6-14-7-10(11,12)13/h2-5,14H,6-7H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]ethanamine?
2,2,2-trifluoro-N-[(4-methylphenyl)methyl]ethanamine has a molecular weight of 203.21 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 24703976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).