3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline

C12H16FNO2 — CID 103132575

IUPAC3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline
SMILESCC1CCC(COc2ccc(N)cc2F)O1
InChIInChI=1S/C12H16FNO2/c1-8-2-4-10(16-8)7-15-12-5-3-9(14)6-11(12)13/h3,5-6,8,10H,2,4,7,14H2,1H3
InChIKeyVYILZLOLACFNJF-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.35
Rot. Bonds3

About 3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline

3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline (PubChem CID 103132575) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline.

Molecular Properties

Compound Name3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline
PubChem CID103132575
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline
SMILESCC1CCC(COc2ccc(N)cc2F)O1
InChIInChI=1S/C12H16FNO2/c1-8-2-4-10(16-8)7-15-12-5-3-9(14)6-11(12)13/h3,5-6,8,10H,2,4,7,14H2,1H3
InChIKeyVYILZLOLACFNJF-UHFFFAOYSA-N
XLogP2.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-[(5-methyloxolan-2-yl)methoxy]aniline
CID 103132582
(1R)-1-[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133470
[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol
CID 107690882
4-[(5-methyloxolan-2-yl)methoxy]-3-prop-2-enylaniline
CID 103132623
2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane
CID 103134451
2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane
CID 103141088
trifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135573
(1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133258
3-[(5-methyloxolan-2-yl)methoxy]pyridin-2-amine
CID 103132570
potassium trifluoro-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135595
3-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol
CID 103136462
(5-methyloxolan-2-yl)methyl 5-amino-2-bromobenzoate
CID 103137017

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline?
The IUPAC name of 3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline (CID 103132575) is 3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline.
What is the SMILES notation for 3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline?
The canonical SMILES for 3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline is CC1CCC(COc2ccc(N)cc2F)O1.
What is the InChIKey of 3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline?
The InChIKey is VYILZLOLACFNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8-2-4-10(16-8)7-15-12-5-3-9(14)6-11(12)13/h3,5-6,8,10H,2,4,7,14H2,1H3.
What are the key properties of 3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline?
3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline has a molecular weight of 225.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline is sourced from PubChem (CID 103132575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).