1-(3,5-dimethylphenyl)-2,2-difluoro-N-methylethanamine

C11H15F2N — CID 80605156

IUPAC1-(3,5-dimethylphenyl)-2,2-difluoro-N-methylethanamine
SMILESCNC(c1cc(C)cc(C)c1)C(F)F
InChIInChI=1S/C11H15F2N/c1-7-4-8(2)6-9(5-7)10(14-3)11(12)13/h4-6,10-11,14H,1-3H3
InChIKeyLCNLOHJQUZDXNS-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.83
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-2,2-difluoro-N-methylethanamine

1-(3,5-dimethylphenyl)-2,2-difluoro-N-methylethanamine (PubChem CID 80605156) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2,2-difluoro-N-methylethanamine
PubChem CID80605156
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name1-(3,5-dimethylphenyl)-2,2-difluoro-N-methylethanamine
SMILESCNC(c1cc(C)cc(C)c1)C(F)F
InChIInChI=1S/C11H15F2N/c1-7-4-8(2)6-9(5-7)10(14-3)11(12)13/h4-6,10-11,14H,1-3H3
InChIKeyLCNLOHJQUZDXNS-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2,2-difluoro-N-methylethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2,2-difluoro-N-methylethanamine (CID 80605156) is 1-(3,5-dimethylphenyl)-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2,2-difluoro-N-methylethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2,2-difluoro-N-methylethanamine is CNC(c1cc(C)cc(C)c1)C(F)F.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2,2-difluoro-N-methylethanamine?
The InChIKey is LCNLOHJQUZDXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-7-4-8(2)6-9(5-7)10(14-3)11(12)13/h4-6,10-11,14H,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2,2-difluoro-N-methylethanamine?
1-(3,5-dimethylphenyl)-2,2-difluoro-N-methylethanamine has a molecular weight of 199.24 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 80605156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).