2,6-difluoro-4-[[(2-methyloxolan-3-yl)methylamino]methyl]phenol

C13H17F2NO2 — CID 114104967

IUPAC2,6-difluoro-4-[[(2-methyloxolan-3-yl)methylamino]methyl]phenol
SMILESCC1OCCC1CNCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C13H17F2NO2/c1-8-10(2-3-18-8)7-16-6-9-4-11(14)13(17)12(15)5-9/h4-5,8,10,16-17H,2-3,6-7H2,1H3
InChIKeyQCDVJHOYDJCYNN-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.18
Rot. Bonds4

About 2,6-difluoro-4-[[(2-methyloxolan-3-yl)methylamino]methyl]phenol

2,6-difluoro-4-[[(2-methyloxolan-3-yl)methylamino]methyl]phenol (PubChem CID 114104967) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 2,6-difluoro-4-[[(2-methyloxolan-3-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[(2-methyloxolan-3-yl)methylamino]methyl]phenol
PubChem CID114104967
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name2,6-difluoro-4-[[(2-methyloxolan-3-yl)methylamino]methyl]phenol
SMILESCC1OCCC1CNCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C13H17F2NO2/c1-8-10(2-3-18-8)7-16-6-9-4-11(14)13(17)12(15)5-9/h4-5,8,10,16-17H,2-3,6-7H2,1H3
InChIKeyQCDVJHOYDJCYNN-UHFFFAOYSA-N
XLogP2.18
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-4-[[(2-methylcyclohexyl)methylamino]methyl]phenol
CID 79831663
2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol
CID 79831125
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methyloxolan-3-yl)methanamine
CID 114104981
1-(2-methyloxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 114104938
4-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]-2,6-difluorophenol
CID 81039047
4-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-2,6-difluorophenol
CID 79832784
N-[3-(ethylaminomethyl)-5-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 106532973
N-[2,6-difluoro-4-(methylaminomethyl)phenyl]-N,2-dimethyloxolan-3-amine
CID 82742641
2,6-difluoro-4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol
CID 79832437
4-[(1,4-dithian-2-ylmethylamino)methyl]-2,6-difluorophenol
CID 113256943
N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropan-1-amine
CID 114104999

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[(2-methyloxolan-3-yl)methylamino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[(2-methyloxolan-3-yl)methylamino]methyl]phenol (CID 114104967) is 2,6-difluoro-4-[[(2-methyloxolan-3-yl)methylamino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[(2-methyloxolan-3-yl)methylamino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[(2-methyloxolan-3-yl)methylamino]methyl]phenol is CC1OCCC1CNCc1cc(F)c(O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-[[(2-methyloxolan-3-yl)methylamino]methyl]phenol?
The InChIKey is QCDVJHOYDJCYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-8-10(2-3-18-8)7-16-6-9-4-11(14)13(17)12(15)5-9/h4-5,8,10,16-17H,2-3,6-7H2,1H3.
What are the key properties of 2,6-difluoro-4-[[(2-methyloxolan-3-yl)methylamino]methyl]phenol?
2,6-difluoro-4-[[(2-methyloxolan-3-yl)methylamino]methyl]phenol has a molecular weight of 257.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[(2-methyloxolan-3-yl)methylamino]methyl]phenol is sourced from PubChem (CID 114104967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).