2,2,2-trifluoro-N-methyl-1-(4-methylphenyl)ethanamine

C10H12F3N — CID 43481735

IUPAC2,2,2-trifluoro-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCNC(c1ccc(C)cc1)C(F)(F)F
InChIInChI=1S/C10H12F3N/c1-7-3-5-8(6-4-7)9(14-2)10(11,12)13/h3-6,9,14H,1-2H3
InChIKeyGWZVRXHPGSFEJW-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.82
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-1-(4-methylphenyl)ethanamine

2,2,2-trifluoro-N-methyl-1-(4-methylphenyl)ethanamine (PubChem CID 43481735) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-1-(4-methylphenyl)ethanamine
PubChem CID43481735
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name2,2,2-trifluoro-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCNC(c1ccc(C)cc1)C(F)(F)F
InChIInChI=1S/C10H12F3N/c1-7-3-5-8(6-4-7)9(14-2)10(11,12)13/h3-6,9,14H,1-2H3
InChIKeyGWZVRXHPGSFEJW-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.82
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-methyl-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-1-(4-methylphenyl)ethanamine (CID 43481735) is 2,2,2-trifluoro-N-methyl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-1-(4-methylphenyl)ethanamine is CNC(c1ccc(C)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-1-(4-methylphenyl)ethanamine?
The InChIKey is GWZVRXHPGSFEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-7-3-5-8(6-4-7)9(14-2)10(11,12)13/h3-6,9,14H,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-1-(4-methylphenyl)ethanamine?
2,2,2-trifluoro-N-methyl-1-(4-methylphenyl)ethanamine has a molecular weight of 203.21 g/mol, XLogP of 2.82, 2 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-methyl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 43481735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).