5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline

C14H14FNO2 — CID 64769606

IUPAC5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline
SMILESCOc1cccc(OCc2ccc(F)cc2N)c1
InChIInChI=1S/C14H14FNO2/c1-17-12-3-2-4-13(8-12)18-9-10-5-6-11(15)7-14(10)16/h2-8H,9,16H2,1H3
InChIKeyMJOHVAPFTJMPGM-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.00
Rot. Bonds4

About 5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline

5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline (PubChem CID 64769606) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline
PubChem CID64769606
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline
SMILESCOc1cccc(OCc2ccc(F)cc2N)c1
InChIInChI=1S/C14H14FNO2/c1-17-12-3-2-4-13(8-12)18-9-10-5-6-11(15)7-14(10)16/h2-8H,9,16H2,1H3
InChIKeyMJOHVAPFTJMPGM-UHFFFAOYSA-N
XLogP3.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.00
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

2-[(3-ethoxyphenoxy)methyl]-5-fluoroaniline
CID 64768838
2-[(2,6-dimethoxyphenoxy)methyl]-5-fluoroaniline
CID 64768237
2-[(3-fluorophenoxy)methyl]-5-methoxyphenol
CID 117221189
2-[(3-ethoxyphenoxy)methyl]-4-fluoroaniline
CID 55060895
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
2-[(4-bromo-3-methylphenoxy)methyl]-5-fluoroaniline
CID 83133849
2-[(4-bromo-3,5-dimethylphenoxy)methyl]-5-fluoroaniline
CID 107722724
3-amino-4-[(3-fluorophenoxy)methyl]benzamide
CID 43376530
2-fluoro-6-[(2-fluoro-4-methoxyphenyl)methoxy]naphthalene
CID 139853874
5-fluoro-2-(quinolin-7-yloxymethyl)aniline
CID 107313267
5-fluoro-2-[(4-methoxyphenyl)methyl]aniline
CID 18794484
6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117179005

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline?
The IUPAC name of 5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline (CID 64769606) is 5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline.
What is the SMILES notation for 5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline?
The canonical SMILES for 5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline is COc1cccc(OCc2ccc(F)cc2N)c1.
What is the InChIKey of 5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline?
The InChIKey is MJOHVAPFTJMPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-17-12-3-2-4-13(8-12)18-9-10-5-6-11(15)7-14(10)16/h2-8H,9,16H2,1H3.
What are the key properties of 5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline?
5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline has a molecular weight of 247.27 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline is sourced from PubChem (CID 64769606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).