2-(1-aminopropan-2-yl)-6-(difluoromethyl)-4-propan-2-ylphenol

C13H19F2NO — CID 117359962

IUPAC2-(1-aminopropan-2-yl)-6-(difluoromethyl)-4-propan-2-ylphenol
SMILESCC(C)c1cc(C(F)F)c(O)c(C(C)CN)c1
InChIInChI=1S/C13H19F2NO/c1-7(2)9-4-10(8(3)6-16)12(17)11(5-9)13(14)15/h4-5,7-8,13,17H,6,16H2,1-3H3
InChIKeyCJAZJSCICLWJDB-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.52
Rot. Bonds4

About 2-(1-aminopropan-2-yl)-6-(difluoromethyl)-4-propan-2-ylphenol

2-(1-aminopropan-2-yl)-6-(difluoromethyl)-4-propan-2-ylphenol (PubChem CID 117359962) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-6-(difluoromethyl)-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-6-(difluoromethyl)-4-propan-2-ylphenol
PubChem CID117359962
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name2-(1-aminopropan-2-yl)-6-(difluoromethyl)-4-propan-2-ylphenol
SMILESCC(C)c1cc(C(F)F)c(O)c(C(C)CN)c1
InChIInChI=1S/C13H19F2NO/c1-7(2)9-4-10(8(3)6-16)12(17)11(5-9)13(14)15/h4-5,7-8,13,17H,6,16H2,1-3H3
InChIKeyCJAZJSCICLWJDB-UHFFFAOYSA-N
XLogP3.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(difluoromethyl)-2-hydroxy-5-propan-2-ylphenyl]butanal
CID 117394047
2-[5-(difluoromethyl)-2-methylphenyl]propan-1-amine
CID 117288683
3-(difluoromethyl)-2-hydroxy-5-propan-2-ylbenzonitrile
CID 117301023
2-(1-aminopropan-2-yl)-4-chloro-6-(trifluoromethyl)phenol
CID 117386945
2-(1-aminopropan-2-yl)benzene-1,4-diol
CID 3028773
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
2-(4-aminobutan-2-yl)-6-bromo-4-propan-2-ylphenol
CID 117461468
4-(1-aminoethyl)-2-(difluoromethyl)-6-methylphenol
CID 84669987
4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol
CID 84807304
2-hexan-2-yl-4,6-di(propan-2-yl)phenol
CID 154085005
2-(1-aminopropan-2-yl)-4-bromo-6-fluorophenol
CID 83900254
2-(5-amino-1,2-oxazol-4-yl)-6-(difluoromethyl)-4-propan-2-ylphenol
CID 117424037

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-6-(difluoromethyl)-4-propan-2-ylphenol?
The IUPAC name of 2-(1-aminopropan-2-yl)-6-(difluoromethyl)-4-propan-2-ylphenol (CID 117359962) is 2-(1-aminopropan-2-yl)-6-(difluoromethyl)-4-propan-2-ylphenol.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-6-(difluoromethyl)-4-propan-2-ylphenol?
The canonical SMILES for 2-(1-aminopropan-2-yl)-6-(difluoromethyl)-4-propan-2-ylphenol is CC(C)c1cc(C(F)F)c(O)c(C(C)CN)c1.
What is the InChIKey of 2-(1-aminopropan-2-yl)-6-(difluoromethyl)-4-propan-2-ylphenol?
The InChIKey is CJAZJSCICLWJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-7(2)9-4-10(8(3)6-16)12(17)11(5-9)13(14)15/h4-5,7-8,13,17H,6,16H2,1-3H3.
What are the key properties of 2-(1-aminopropan-2-yl)-6-(difluoromethyl)-4-propan-2-ylphenol?
2-(1-aminopropan-2-yl)-6-(difluoromethyl)-4-propan-2-ylphenol has a molecular weight of 243.30 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-6-(difluoromethyl)-4-propan-2-ylphenol is sourced from PubChem (CID 117359962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).