2,2-difluoro-N-[(2,4,6-trimethylphenyl)methyl]ethanamine

C12H17F2N — CID 115406014

IUPAC2,2-difluoro-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CNCC(F)F)c(C)c1
InChIInChI=1S/C12H17F2N/c1-8-4-9(2)11(10(3)5-8)6-15-7-12(13)14/h4-5,12,15H,6-7H2,1-3H3
InChIKeyWSNARGXVCDDHPL-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.97
Rot. Bonds4

About 2,2-difluoro-N-[(2,4,6-trimethylphenyl)methyl]ethanamine

2,2-difluoro-N-[(2,4,6-trimethylphenyl)methyl]ethanamine (PubChem CID 115406014) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2,4,6-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
PubChem CID115406014
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name2,2-difluoro-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CNCC(F)F)c(C)c1
InChIInChI=1S/C12H17F2N/c1-8-4-9(2)11(10(3)5-8)6-15-7-12(13)14/h4-5,12,15H,6-7H2,1-3H3
InChIKeyWSNARGXVCDDHPL-UHFFFAOYSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[(2,4,6-trimethylphenyl)methyl]ethanamine (CID 115406014) is 2,2-difluoro-N-[(2,4,6-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[(2,4,6-trimethylphenyl)methyl]ethanamine is Cc1cc(C)c(CNCC(F)F)c(C)c1.
What is the InChIKey of 2,2-difluoro-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The InChIKey is WSNARGXVCDDHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-8-4-9(2)11(10(3)5-8)6-15-7-12(13)14/h4-5,12,15H,6-7H2,1-3H3.
What are the key properties of 2,2-difluoro-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
2,2-difluoro-N-[(2,4,6-trimethylphenyl)methyl]ethanamine has a molecular weight of 213.27 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(2,4,6-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 115406014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).