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

C13H19F2N — CID 116839389

IUPAC1,1-difluoro-2-methyl-1-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(C(F)(F)C(C)(C)N)c(C)c1
InChIInChI=1S/C13H19F2N/c1-8-6-9(2)11(10(3)7-8)13(14,15)12(4,5)16/h6-7H,16H2,1-5H3
InChIKeyZPLJLQPBHYPKEQ-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.44
Rot. Bonds2

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

1,1-difluoro-2-methyl-1-(2,4,6-trimethylphenyl)propan-2-amine (PubChem CID 116839389) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 1,1-difluoro-2-methyl-1-(2,4,6-trimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-2-methyl-1-(2,4,6-trimethylphenyl)propan-2-amine
PubChem CID116839389
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1,1-difluoro-2-methyl-1-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(C(F)(F)C(C)(C)N)c(C)c1
InChIInChI=1S/C13H19F2N/c1-8-6-9(2)11(10(3)7-8)13(14,15)12(4,5)16/h6-7H,16H2,1-5H3
InChIKeyZPLJLQPBHYPKEQ-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methyl-1-(2,4,6-trimethylphenyl)propan-2-amine?
The IUPAC name of 1,1-difluoro-2-methyl-1-(2,4,6-trimethylphenyl)propan-2-amine (CID 116839389) is 1,1-difluoro-2-methyl-1-(2,4,6-trimethylphenyl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-2-methyl-1-(2,4,6-trimethylphenyl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-2-methyl-1-(2,4,6-trimethylphenyl)propan-2-amine is Cc1cc(C)c(C(F)(F)C(C)(C)N)c(C)c1.
What is the InChIKey of 1,1-difluoro-2-methyl-1-(2,4,6-trimethylphenyl)propan-2-amine?
The InChIKey is ZPLJLQPBHYPKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-8-6-9(2)11(10(3)7-8)13(14,15)12(4,5)16/h6-7H,16H2,1-5H3.
What are the key properties of 1,1-difluoro-2-methyl-1-(2,4,6-trimethylphenyl)propan-2-amine?
1,1-difluoro-2-methyl-1-(2,4,6-trimethylphenyl)propan-2-amine has a molecular weight of 227.30 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methyl-1-(2,4,6-trimethylphenyl)propan-2-amine is sourced from PubChem (CID 116839389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).