4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline

C14H14FNO2 — CID 43154828

IUPAC4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
SMILESCOc1ccc(COc2ccc(N)cc2)cc1F
InChIInChI=1S/C14H14FNO2/c1-17-14-7-2-10(8-13(14)15)9-18-12-5-3-11(16)4-6-12/h2-8H,9,16H2,1H3
InChIKeyMXSJRENZMUIANX-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.00
Rot. Bonds4

About 4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline

4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline (PubChem CID 43154828) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline.

Molecular Properties

Compound Name4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
PubChem CID43154828
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
SMILESCOc1ccc(COc2ccc(N)cc2)cc1F
InChIInChI=1S/C14H14FNO2/c1-17-14-7-2-10(8-13(14)15)9-18-12-5-3-11(16)4-6-12/h2-8H,9,16H2,1H3
InChIKeyMXSJRENZMUIANX-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
CID 60627904
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline
CID 43332349
4-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide
CID 7893423
1-[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43503631
2-[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanimidamide
CID 43332381
5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile
CID 65341217
2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
CID 60628032
1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene
CID 83133800
[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-phenylmethanone
CID 7717780
2-fluoro-1-methoxy-4-[(3-methylphenoxy)methyl]benzene
CID 60627922
4-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19626867
(3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate
CID 7221984

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline?
The IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline (CID 43154828) is 4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline.
What is the SMILES notation for 4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline?
The canonical SMILES for 4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline is COc1ccc(COc2ccc(N)cc2)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline?
The InChIKey is MXSJRENZMUIANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-17-14-7-2-10(8-13(14)15)9-18-12-5-3-11(16)4-6-12/h2-8H,9,16H2,1H3.
What are the key properties of 4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline?
4-[(3-fluoro-4-methoxyphenyl)methoxy]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 4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline is sourced from PubChem (CID 43154828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).