1-[2-(difluoromethyl)-5-methoxyphenyl]-2-methylpropan-2-amine

C12H17F2NO — CID 117330484

IUPAC1-[2-(difluoromethyl)-5-methoxyphenyl]-2-methylpropan-2-amine
SMILESCOc1ccc(C(F)F)c(CC(C)(C)N)c1
InChIInChI=1S/C12H17F2NO/c1-12(2,15)7-8-6-9(16-3)4-5-10(8)11(13)14/h4-6,11H,7,15H2,1-3H3
InChIKeyWLUGOHJLCIRARZ-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.91
Rot. Bonds4

About 1-[2-(difluoromethyl)-5-methoxyphenyl]-2-methylpropan-2-amine

1-[2-(difluoromethyl)-5-methoxyphenyl]-2-methylpropan-2-amine (PubChem CID 117330484) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-5-methoxyphenyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-5-methoxyphenyl]-2-methylpropan-2-amine
PubChem CID117330484
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-[2-(difluoromethyl)-5-methoxyphenyl]-2-methylpropan-2-amine
SMILESCOc1ccc(C(F)F)c(CC(C)(C)N)c1
InChIInChI=1S/C12H17F2NO/c1-12(2,15)7-8-6-9(16-3)4-5-10(8)11(13)14/h4-6,11H,7,15H2,1-3H3
InChIKeyWLUGOHJLCIRARZ-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine
CID 117306605
1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-one
CID 84680204
3-[2-(difluoromethyl)-5-methoxyphenyl]propanal
CID 117305190
1-[[2-(difluoromethyl)-5-methoxyphenyl]methyl]cyclopropan-1-ol
CID 117328612
2-(difluoromethyl)-4-methoxyaniline
CID 45091134
1-(3-bromo-2,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117465340
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine
CID 117391231
1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine
CID 117317079
1-(2-fluoro-4-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 43561213
[2-(1-aminoethyl)-5-methoxyphenyl]methanol
CID 130042307
1-(5-bromo-2-propan-2-ylphenyl)-2-methylpropan-2-amine
CID 84809083
3-[2-(difluoromethyl)-4-methoxyphenyl]propanenitrile
CID 118826042

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-5-methoxyphenyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[2-(difluoromethyl)-5-methoxyphenyl]-2-methylpropan-2-amine (CID 117330484) is 1-[2-(difluoromethyl)-5-methoxyphenyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[2-(difluoromethyl)-5-methoxyphenyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[2-(difluoromethyl)-5-methoxyphenyl]-2-methylpropan-2-amine is COc1ccc(C(F)F)c(CC(C)(C)N)c1.
What is the InChIKey of 1-[2-(difluoromethyl)-5-methoxyphenyl]-2-methylpropan-2-amine?
The InChIKey is WLUGOHJLCIRARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-12(2,15)7-8-6-9(16-3)4-5-10(8)11(13)14/h4-6,11H,7,15H2,1-3H3.
What are the key properties of 1-[2-(difluoromethyl)-5-methoxyphenyl]-2-methylpropan-2-amine?
1-[2-(difluoromethyl)-5-methoxyphenyl]-2-methylpropan-2-amine has a molecular weight of 229.27 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-5-methoxyphenyl]-2-methylpropan-2-amine is sourced from PubChem (CID 117330484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).