3-fluoro-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol

C14H20FNO3 — CID 107715417

IUPAC3-fluoro-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol
SMILESCOC1(CNC(C)c2ccc(O)cc2F)CCOC1
InChIInChI=1S/C14H20FNO3/c1-10(12-4-3-11(17)7-13(12)15)16-8-14(18-2)5-6-19-9-14/h3-4,7,10,16-17H,5-6,8-9H2,1-2H3
InChIKeyYGXHLZNEVNBBQX-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.99
Rot. Bonds5

About 3-fluoro-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol

3-fluoro-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol (PubChem CID 107715417) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-fluoro-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol
PubChem CID107715417
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name3-fluoro-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol
SMILESCOC1(CNC(C)c2ccc(O)cc2F)CCOC1
InChIInChI=1S/C14H20FNO3/c1-10(12-4-3-11(17)7-13(12)15)16-8-14(18-2)5-6-19-9-14/h3-4,7,10,16-17H,5-6,8-9H2,1-2H3
InChIKeyYGXHLZNEVNBBQX-UHFFFAOYSA-N
XLogP1.99
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]benzene-1,3-diol
CID 104759725
2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol
CID 104759790
1-(2,4-difluorophenyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine
CID 103980217
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 104705771
1-(2,5-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
CID 104760984
(1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 97107019
5-methoxy-2-[1-[(4-methyloxan-4-yl)methylamino]ethyl]phenol
CID 104583357
(1R)-1-(3,4-difluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-2-methylpropan-1-amine
CID 99777290
3,5-difluoro-4-[(3-methoxyoxolan-3-yl)methylamino]benzenecarbothioamide
CID 104761871
1-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
CID 104760733
3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine
CID 104705834
1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
CID 104759779

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol?
The IUPAC name of 3-fluoro-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol (CID 107715417) is 3-fluoro-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol is COC1(CNC(C)c2ccc(O)cc2F)CCOC1.
What is the InChIKey of 3-fluoro-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol?
The InChIKey is YGXHLZNEVNBBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-10(12-4-3-11(17)7-13(12)15)16-8-14(18-2)5-6-19-9-14/h3-4,7,10,16-17H,5-6,8-9H2,1-2H3.
What are the key properties of 3-fluoro-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol?
3-fluoro-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol has a molecular weight of 269.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol is sourced from PubChem (CID 107715417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).