3-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol

C13H18FNO2 — CID 107721166

IUPAC3-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol
SMILESCC(c1ccc(O)cc1F)N(C)C1CCOC1
InChIInChI=1S/C13H18FNO2/c1-9(15(2)10-5-6-17-8-10)12-4-3-11(16)7-13(12)14/h3-4,7,9-10,16H,5-6,8H2,1-2H3
InChIKeyNKPRAKBETVZICH-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.31
Rot. Bonds3

About 3-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol

3-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol (PubChem CID 107721166) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol
PubChem CID107721166
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name3-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol
SMILESCC(c1ccc(O)cc1F)N(C)C1CCOC1
InChIInChI=1S/C13H18FNO2/c1-9(15(2)10-5-6-17-8-10)12-4-3-11(16)7-13(12)14/h3-4,7,9-10,16H,5-6,8H2,1-2H3
InChIKeyNKPRAKBETVZICH-UHFFFAOYSA-N
XLogP2.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]phenol
CID 107720804
2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide
CID 104929947
3-fluoro-4-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol
CID 107721085
2-[1-[methyl(oxolan-3-yl)amino]ethyl]benzene-1,3-diol
CID 107712028
3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol
CID 107721055
4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol
CID 82977582
3-fluoro-4-[1-[methyl(propyl)amino]ethyl]phenol
CID 107720983
2-[methyl(oxolan-3-yl)amino]propan-1-ol
CID 115773290
1-(4-chlorophenyl)-2-[methyl(oxolan-3-yl)amino]propan-1-one
CID 82742632
4-[1-[ethyl(pyrrolidin-3-yl)amino]ethyl]-3-fluorophenol
CID 107720760
1-(2-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82733450
2-[4-[1-(2-fluoro-4-hydroxyphenyl)ethyl]morpholin-3-yl]acetic acid
CID 107720928

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol?
The IUPAC name of 3-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol (CID 107721166) is 3-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol is CC(c1ccc(O)cc1F)N(C)C1CCOC1.
What is the InChIKey of 3-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol?
The InChIKey is NKPRAKBETVZICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9(15(2)10-5-6-17-8-10)12-4-3-11(16)7-13(12)14/h3-4,7,9-10,16H,5-6,8H2,1-2H3.
What are the key properties of 3-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol?
3-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol has a molecular weight of 239.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol is sourced from PubChem (CID 107721166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).