N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline

C26H22FNO2 — CID 126121743

IUPACN-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
SMILESFc1ccccc1COc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C26H22FNO2/c27-26-9-5-4-6-21(26)19-29-23-14-10-20(11-15-23)18-28-22-12-16-25(17-13-22)30-24-7-2-1-3-8-24/h1-17,28H,18-19H2
InChIKeyJDJMVEYBRNSKNX-UHFFFAOYSA-N
MW399.47 g/mol
LogP6.81
Rot. Bonds8

About N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline

N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline (PubChem CID 126121743) has the molecular formula C26H22FNO2 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline.

Molecular Properties

Compound NameN-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
PubChem CID126121743
Molecular FormulaC26H22FNO2
Molecular Weight399.47 g/mol
Exact Mass399.16
IUPAC NameN-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
SMILESFc1ccccc1COc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C26H22FNO2/c27-26-9-5-4-6-21(26)19-29-23-14-10-20(11-15-23)18-28-22-12-16-25(17-13-22)30-24-7-2-1-3-8-24/h1-17,28H,18-19H2
InChIKeyJDJMVEYBRNSKNX-UHFFFAOYSA-N
XLogP6.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.47
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126127256
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methylsulfonylaniline
CID 133477267
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117506
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117217
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126128028
N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline
CID 54796711
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126121051
4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
CID 126128104
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126204323
N-[(4-hexoxyphenyl)methyl]-4-phenoxyaniline
CID 54796706
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126141207
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126121696

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
The IUPAC name of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline (CID 126121743) is N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline.
What is the SMILES notation for N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
The canonical SMILES for N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline is Fc1ccccc1COc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
The InChIKey is JDJMVEYBRNSKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FNO2/c27-26-9-5-4-6-21(26)19-29-23-14-10-20(11-15-23)18-28-22-12-16-25(17-13-22)30-24-7-2-1-3-8-24/h1-17,28H,18-19H2.
What are the key properties of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline has a molecular weight of 399.47 g/mol, XLogP of 6.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline is sourced from PubChem (CID 126121743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).