5-fluoro-2-(phenylmethoxymethoxy)aniline

C14H14FNO2 — CID 102939313

IUPAC5-fluoro-2-(phenylmethoxymethoxy)aniline
SMILESNc1cc(F)ccc1OCOCc1ccccc1
InChIInChI=1S/C14H14FNO2/c15-12-6-7-14(13(16)8-12)18-10-17-9-11-4-2-1-3-5-11/h1-8H,9-10,16H2
InChIKeyOLYWFHJJKWEJMF-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.96
Rot. Bonds5

About 5-fluoro-2-(phenylmethoxymethoxy)aniline

5-fluoro-2-(phenylmethoxymethoxy)aniline (PubChem CID 102939313) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 5-fluoro-2-(phenylmethoxymethoxy)aniline.

Molecular Properties

Compound Name5-fluoro-2-(phenylmethoxymethoxy)aniline
PubChem CID102939313
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name5-fluoro-2-(phenylmethoxymethoxy)aniline
SMILESNc1cc(F)ccc1OCOCc1ccccc1
InChIInChI=1S/C14H14FNO2/c15-12-6-7-14(13(16)8-12)18-10-17-9-11-4-2-1-3-5-11/h1-8H,9-10,16H2
InChIKeyOLYWFHJJKWEJMF-UHFFFAOYSA-N
XLogP2.96
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[5-fluoro-2-(phenylmethoxymethoxy)phenyl]ethanol
CID 102939866
5-fluoro-2-methyl-4-(phenylmethoxymethoxy)aniline
CID 102939333
2-[(4-ethylphenyl)methoxy]-5-fluoroaniline
CID 62368174
2-fluoro-3-(phenylmethoxymethoxy)pyridine
CID 102941131
4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene
CID 107691820
5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 19627149
2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 89308088
[3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanamine
CID 102939558
4-bromo-2-(chloromethyl)-1-(phenylmethoxymethoxy)benzene
CID 102939906
2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline
CID 62368347
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
3,5-dimethyl-2-(phenylmethoxymethoxy)aniline
CID 102939310

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(phenylmethoxymethoxy)aniline?
The IUPAC name of 5-fluoro-2-(phenylmethoxymethoxy)aniline (CID 102939313) is 5-fluoro-2-(phenylmethoxymethoxy)aniline.
What is the SMILES notation for 5-fluoro-2-(phenylmethoxymethoxy)aniline?
The canonical SMILES for 5-fluoro-2-(phenylmethoxymethoxy)aniline is Nc1cc(F)ccc1OCOCc1ccccc1.
What is the InChIKey of 5-fluoro-2-(phenylmethoxymethoxy)aniline?
The InChIKey is OLYWFHJJKWEJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-12-6-7-14(13(16)8-12)18-10-17-9-11-4-2-1-3-5-11/h1-8H,9-10,16H2.
What are the key properties of 5-fluoro-2-(phenylmethoxymethoxy)aniline?
5-fluoro-2-(phenylmethoxymethoxy)aniline has a molecular weight of 247.27 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(phenylmethoxymethoxy)aniline is sourced from PubChem (CID 102939313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).