1,1-difluoro-1-(2,4,6-trimethylphenyl)propan-2-amine

C12H17F2N — CID 116839258

IUPAC1,1-difluoro-1-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(C(F)(F)C(C)N)c(C)c1
InChIInChI=1S/C12H17F2N/c1-7-5-8(2)11(9(3)6-7)12(13,14)10(4)15/h5-6,10H,15H2,1-4H3
InChIKeyXQTBHYMAGUSHSN-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.05
Rot. Bonds2

About 1,1-difluoro-1-(2,4,6-trimethylphenyl)propan-2-amine

1,1-difluoro-1-(2,4,6-trimethylphenyl)propan-2-amine (PubChem CID 116839258) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 1,1-difluoro-1-(2,4,6-trimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-1-(2,4,6-trimethylphenyl)propan-2-amine
PubChem CID116839258
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name1,1-difluoro-1-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(C(F)(F)C(C)N)c(C)c1
InChIInChI=1S/C12H17F2N/c1-7-5-8(2)11(9(3)6-7)12(13,14)10(4)15/h5-6,10H,15H2,1-4H3
InChIKeyXQTBHYMAGUSHSN-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-(2,4,6-trimethylphenyl)propan-2-amine?
The IUPAC name of 1,1-difluoro-1-(2,4,6-trimethylphenyl)propan-2-amine (CID 116839258) is 1,1-difluoro-1-(2,4,6-trimethylphenyl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-1-(2,4,6-trimethylphenyl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-1-(2,4,6-trimethylphenyl)propan-2-amine is Cc1cc(C)c(C(F)(F)C(C)N)c(C)c1.
What is the InChIKey of 1,1-difluoro-1-(2,4,6-trimethylphenyl)propan-2-amine?
The InChIKey is XQTBHYMAGUSHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-7-5-8(2)11(9(3)6-7)12(13,14)10(4)15/h5-6,10H,15H2,1-4H3.
What are the key properties of 1,1-difluoro-1-(2,4,6-trimethylphenyl)propan-2-amine?
1,1-difluoro-1-(2,4,6-trimethylphenyl)propan-2-amine has a molecular weight of 213.27 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(2,4,6-trimethylphenyl)propan-2-amine is sourced from PubChem (CID 116839258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).