3-[(2-fluorophenyl)methoxy]-5-methylaniline

C14H14FNO — CID 112648486

IUPAC3-[(2-fluorophenyl)methoxy]-5-methylaniline
SMILESCc1cc(N)cc(OCc2ccccc2F)c1
InChIInChI=1S/C14H14FNO/c1-10-6-12(16)8-13(7-10)17-9-11-4-2-3-5-14(11)15/h2-8H,9,16H2,1H3
InChIKeyLLZVYTXGSARBMI-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.30
Rot. Bonds3

About 3-[(2-fluorophenyl)methoxy]-5-methylaniline

3-[(2-fluorophenyl)methoxy]-5-methylaniline (PubChem CID 112648486) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methoxy]-5-methylaniline.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methoxy]-5-methylaniline
PubChem CID112648486
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name3-[(2-fluorophenyl)methoxy]-5-methylaniline
SMILESCc1cc(N)cc(OCc2ccccc2F)c1
InChIInChI=1S/C14H14FNO/c1-10-6-12(16)8-13(7-10)17-9-11-4-2-3-5-14(11)15/h2-8H,9,16H2,1H3
InChIKeyLLZVYTXGSARBMI-UHFFFAOYSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-fluorophenyl)methoxy]-5-nitroaniline
CID 80876570
2-[(2-fluorophenyl)methoxy]-3,5-dimethylaniline
CID 62058212
2-[(2-fluorophenyl)methoxy]-5-methylaniline
CID 39247930
(2-fluorophenyl)methyl 3-amino-5-ethoxybenzoate
CID 81094701
2-[(2-fluorophenyl)methoxy]-5-methylpyridin-3-amine
CID 66278256
2-chloro-6-[(2-fluorophenyl)methoxy]pyridin-4-amine
CID 114070689
3-[(2-chlorophenyl)methoxy]-5-fluoroaniline
CID 80752307
3-[(3,5-dimethylphenoxy)methyl]-4-fluorobenzamide
CID 65202032
3-ethoxy-5-methylaniline
CID 67863452
4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine
CID 142729124
4-[(2-fluorophenyl)methoxy]-3-methoxyaniline
CID 62109774
4-[(3,5-dimethylphenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43185385

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methoxy]-5-methylaniline?
The IUPAC name of 3-[(2-fluorophenyl)methoxy]-5-methylaniline (CID 112648486) is 3-[(2-fluorophenyl)methoxy]-5-methylaniline.
What is the SMILES notation for 3-[(2-fluorophenyl)methoxy]-5-methylaniline?
The canonical SMILES for 3-[(2-fluorophenyl)methoxy]-5-methylaniline is Cc1cc(N)cc(OCc2ccccc2F)c1.
What is the InChIKey of 3-[(2-fluorophenyl)methoxy]-5-methylaniline?
The InChIKey is LLZVYTXGSARBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-10-6-12(16)8-13(7-10)17-9-11-4-2-3-5-14(11)15/h2-8H,9,16H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)methoxy]-5-methylaniline?
3-[(2-fluorophenyl)methoxy]-5-methylaniline has a molecular weight of 231.27 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methoxy]-5-methylaniline is sourced from PubChem (CID 112648486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).