2-(2,5-dimethylphenyl)-N-ethyl-1,1-difluoropropan-2-amine

C13H19F2N — CID 80605045

IUPAC2-(2,5-dimethylphenyl)-N-ethyl-1,1-difluoropropan-2-amine
SMILESCCNC(C)(c1cc(C)ccc1C)C(F)F
InChIInChI=1S/C13H19F2N/c1-5-16-13(4,12(14)15)11-8-9(2)6-7-10(11)3/h6-8,12,16H,5H2,1-4H3
InChIKeyYIAOLHOPJVOEDV-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.39
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-N-ethyl-1,1-difluoropropan-2-amine

2-(2,5-dimethylphenyl)-N-ethyl-1,1-difluoropropan-2-amine (PubChem CID 80605045) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-ethyl-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-ethyl-1,1-difluoropropan-2-amine
PubChem CID80605045
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-(2,5-dimethylphenyl)-N-ethyl-1,1-difluoropropan-2-amine
SMILESCCNC(C)(c1cc(C)ccc1C)C(F)F
InChIInChI=1S/C13H19F2N/c1-5-16-13(4,12(14)15)11-8-9(2)6-7-10(11)3/h6-8,12,16H,5H2,1-4H3
InChIKeyYIAOLHOPJVOEDV-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-ethyl-1,1-difluoropropan-2-amine?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-ethyl-1,1-difluoropropan-2-amine (CID 80605045) is 2-(2,5-dimethylphenyl)-N-ethyl-1,1-difluoropropan-2-amine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-ethyl-1,1-difluoropropan-2-amine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-ethyl-1,1-difluoropropan-2-amine is CCNC(C)(c1cc(C)ccc1C)C(F)F.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-ethyl-1,1-difluoropropan-2-amine?
The InChIKey is YIAOLHOPJVOEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-5-16-13(4,12(14)15)11-8-9(2)6-7-10(11)3/h6-8,12,16H,5H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-N-ethyl-1,1-difluoropropan-2-amine?
2-(2,5-dimethylphenyl)-N-ethyl-1,1-difluoropropan-2-amine has a molecular weight of 227.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-ethyl-1,1-difluoropropan-2-amine is sourced from PubChem (CID 80605045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).