2,6-difluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol

C13H19F2NO — CID 82976577

IUPAC2,6-difluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol
SMILESCC(C)C(C)N(C)Cc1cc(F)c(O)c(F)c1
InChIInChI=1S/C13H19F2NO/c1-8(2)9(3)16(4)7-10-5-11(14)13(17)12(15)6-10/h5-6,8-9,17H,7H2,1-4H3
InChIKeyHGRLXUSXLFCUAU-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.15
Rot. Bonds4

About 2,6-difluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol

2,6-difluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol (PubChem CID 82976577) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 2,6-difluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol
PubChem CID82976577
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name2,6-difluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol
SMILESCC(C)C(C)N(C)Cc1cc(F)c(O)c(F)c1
InChIInChI=1S/C13H19F2NO/c1-8(2)9(3)16(4)7-10-5-11(14)13(17)12(15)6-10/h5-6,8-9,17H,7H2,1-4H3
InChIKeyHGRLXUSXLFCUAU-UHFFFAOYSA-N
XLogP3.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol (CID 82976577) is 2,6-difluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol is CC(C)C(C)N(C)Cc1cc(F)c(O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol?
The InChIKey is HGRLXUSXLFCUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-8(2)9(3)16(4)7-10-5-11(14)13(17)12(15)6-10/h5-6,8-9,17H,7H2,1-4H3.
What are the key properties of 2,6-difluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol?
2,6-difluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol has a molecular weight of 243.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 82976577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).