1,1-difluoro-1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine

C13H19F2NO — CID 116839392

IUPAC1,1-difluoro-1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(C)c(C(F)(F)C(C)(C)N)cc1C
InChIInChI=1S/C13H19F2NO/c1-8-7-11(17-5)9(2)6-10(8)13(14,15)12(3,4)16/h6-7H,16H2,1-5H3
InChIKeyCAXAGZBZYNLLST-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.14
Rot. Bonds3

About 1,1-difluoro-1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine

1,1-difluoro-1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine (PubChem CID 116839392) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1,1-difluoro-1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
PubChem CID116839392
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1,1-difluoro-1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(C)c(C(F)(F)C(C)(C)N)cc1C
InChIInChI=1S/C13H19F2NO/c1-8-7-11(17-5)9(2)6-10(8)13(14,15)12(3,4)16/h6-7H,16H2,1-5H3
InChIKeyCAXAGZBZYNLLST-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-difluoro-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-2-amine
CID 116839527
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325
2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine
CID 84774491
1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839369
1,2-ditert-butyl-4-methoxy-5-methylbenzene
CID 90688741
3-(4-methoxy-2,5-dimethylphenyl)-3-methylbutan-2-one
CID 82286345
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
1-(2,4-dimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839374
3,3-difluoro-3-(4-methoxy-2,5-dimethylphenyl)propanenitrile
CID 116840715
3-methoxy-2-(4-methoxy-2,5-dimethylphenyl)-3-methylbutan-2-ol
CID 114228362
1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene
CID 135743171
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1,1-difluoro-1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine (CID 116839392) is 1,1-difluoro-1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1,1-difluoro-1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1,1-difluoro-1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine is COc1cc(C)c(C(F)(F)C(C)(C)N)cc1C.
What is the InChIKey of 1,1-difluoro-1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine?
The InChIKey is CAXAGZBZYNLLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-8-7-11(17-5)9(2)6-10(8)13(14,15)12(3,4)16/h6-7H,16H2,1-5H3.
What are the key properties of 1,1-difluoro-1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine?
1,1-difluoro-1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine has a molecular weight of 243.30 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 116839392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).