4-[(2-fluorophenyl)methoxy]-3-methoxyaniline

C14H14FNO2 — CID 62109774

IUPAC4-[(2-fluorophenyl)methoxy]-3-methoxyaniline
SMILESCOc1cc(N)ccc1OCc1ccccc1F
InChIInChI=1S/C14H14FNO2/c1-17-14-8-11(16)6-7-13(14)18-9-10-4-2-3-5-12(10)15/h2-8H,9,16H2,1H3
InChIKeyLMADPDDOLUQPLW-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.00
Rot. Bonds4

About 4-[(2-fluorophenyl)methoxy]-3-methoxyaniline

4-[(2-fluorophenyl)methoxy]-3-methoxyaniline (PubChem CID 62109774) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methoxy]-3-methoxyaniline.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methoxy]-3-methoxyaniline
PubChem CID62109774
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name4-[(2-fluorophenyl)methoxy]-3-methoxyaniline
SMILESCOc1cc(N)ccc1OCc1ccccc1F
InChIInChI=1S/C14H14FNO2/c1-17-14-8-11(16)6-7-13(14)18-9-10-4-2-3-5-12(10)15/h2-8H,9,16H2,1H3
InChIKeyLMADPDDOLUQPLW-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

3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline
CID 22112878
4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine
CID 142729124
3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline
CID 112651662
2-[(4-amino-2-methoxyphenoxy)methyl]benzonitrile
CID 62110948
3-methoxy-4-phenylmethoxyaniline
CID 27226
4-[(3,5-difluorophenyl)methoxy]-3-methoxyaniline
CID 105402158
1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208030
2-[(2-fluorophenyl)methoxy]-5-methylaniline
CID 39247930
2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid
CID 115460494
3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine
CID 170879087
4-(1-benzothiophen-3-ylmethoxy)-3-methoxyaniline
CID 63744670
N-carbamothioyl-4-[(2-fluorophenyl)methoxy]-3-methoxybenzamide
CID 132591186

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methoxy]-3-methoxyaniline?
The IUPAC name of 4-[(2-fluorophenyl)methoxy]-3-methoxyaniline (CID 62109774) is 4-[(2-fluorophenyl)methoxy]-3-methoxyaniline.
What is the SMILES notation for 4-[(2-fluorophenyl)methoxy]-3-methoxyaniline?
The canonical SMILES for 4-[(2-fluorophenyl)methoxy]-3-methoxyaniline is COc1cc(N)ccc1OCc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)methoxy]-3-methoxyaniline?
The InChIKey is LMADPDDOLUQPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-17-14-8-11(16)6-7-13(14)18-9-10-4-2-3-5-12(10)15/h2-8H,9,16H2,1H3.
What are the key properties of 4-[(2-fluorophenyl)methoxy]-3-methoxyaniline?
4-[(2-fluorophenyl)methoxy]-3-methoxyaniline 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-[(2-fluorophenyl)methoxy]-3-methoxyaniline is sourced from PubChem (CID 62109774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).