2-[4-[(2-fluorophenyl)methoxy]phenoxy]aniline

C19H16FNO2 — CID 15887603

IUPAC2-[4-[(2-fluorophenyl)methoxy]phenoxy]aniline
SMILESNc1ccccc1Oc1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C19H16FNO2/c20-17-6-2-1-5-14(17)13-22-15-9-11-16(12-10-15)23-19-8-4-3-7-18(19)21/h1-12H,13,21H2
InChIKeyASLWABKNHDEYOT-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.78
Rot. Bonds5

About 2-[4-[(2-fluorophenyl)methoxy]phenoxy]aniline

2-[4-[(2-fluorophenyl)methoxy]phenoxy]aniline (PubChem CID 15887603) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenyl)methoxy]phenoxy]aniline.

Molecular Properties

Compound Name2-[4-[(2-fluorophenyl)methoxy]phenoxy]aniline
PubChem CID15887603
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Name2-[4-[(2-fluorophenyl)methoxy]phenoxy]aniline
SMILESNc1ccccc1Oc1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C19H16FNO2/c20-17-6-2-1-5-14(17)13-22-15-9-11-16(12-10-15)23-19-8-4-3-7-18(19)21/h1-12H,13,21H2
InChIKeyASLWABKNHDEYOT-UHFFFAOYSA-N
XLogP4.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.78
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-fluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 113458208
2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 22338373
1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60627565
4-amino-3-[(2-fluorophenyl)methoxy]benzonitrile
CID 113444327
(2-fluorophenyl)methyl 3-(2-aminophenoxy)propanoate
CID 61316164
4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine
CID 142729124
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126121743
[4-[(2-fluorophenyl)methoxy]phenyl]-methyl-methylideneazanium
CID 123448679
3,4-difluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 63933644
2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 2063523
4-[(2-fluorophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 42656905
3-[(2-fluorophenyl)methoxy]-5-methylaniline
CID 112648486

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorophenyl)methoxy]phenoxy]aniline?
The IUPAC name of 2-[4-[(2-fluorophenyl)methoxy]phenoxy]aniline (CID 15887603) is 2-[4-[(2-fluorophenyl)methoxy]phenoxy]aniline.
What is the SMILES notation for 2-[4-[(2-fluorophenyl)methoxy]phenoxy]aniline?
The canonical SMILES for 2-[4-[(2-fluorophenyl)methoxy]phenoxy]aniline is Nc1ccccc1Oc1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of 2-[4-[(2-fluorophenyl)methoxy]phenoxy]aniline?
The InChIKey is ASLWABKNHDEYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2/c20-17-6-2-1-5-14(17)13-22-15-9-11-16(12-10-15)23-19-8-4-3-7-18(19)21/h1-12H,13,21H2.
What are the key properties of 2-[4-[(2-fluorophenyl)methoxy]phenoxy]aniline?
2-[4-[(2-fluorophenyl)methoxy]phenoxy]aniline has a molecular weight of 309.34 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorophenyl)methoxy]phenoxy]aniline is sourced from PubChem (CID 15887603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).