N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline

C26H21ClFNO2 — CID 126128028

IUPACN-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
SMILESFc1ccccc1COc1ccc(Cl)cc1CNc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H21ClFNO2/c27-21-10-15-26(30-18-19-6-4-5-9-25(19)28)20(16-21)17-29-22-11-13-24(14-12-22)31-23-7-2-1-3-8-23/h1-16,29H,17-18H2
InChIKeyVSDIXRDASODENI-UHFFFAOYSA-N
MW433.91 g/mol
LogP7.46
Rot. Bonds8

About N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline

N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline (PubChem CID 126128028) has the molecular formula C26H21ClFNO2 and a molecular weight of 433.91 g/mol. Its IUPAC name is N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline.

Molecular Properties

Compound NameN-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
PubChem CID126128028
Molecular FormulaC26H21ClFNO2
Molecular Weight433.91 g/mol
Exact Mass433.12
IUPAC NameN-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
SMILESFc1ccccc1COc1ccc(Cl)cc1CNc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H21ClFNO2/c27-21-10-15-26(30-18-19-6-4-5-9-25(19)28)20(16-21)17-29-22-11-13-24(14-12-22)31-23-7-2-1-3-8-23/h1-16,29H,17-18H2
InChIKeyVSDIXRDASODENI-UHFFFAOYSA-N
XLogP7.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.91
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 5201941
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126121743
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126116306
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126141207
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 4718772
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 2950069
4-chloro-N-[[2-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 66542531
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
CID 126202114
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717120
2-[2-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol
CID 4720990
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17293162
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291343

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
The IUPAC name of N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline (CID 126128028) is N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline.
What is the SMILES notation for N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
The canonical SMILES for N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline is Fc1ccccc1COc1ccc(Cl)cc1CNc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
The InChIKey is VSDIXRDASODENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFNO2/c27-21-10-15-26(30-18-19-6-4-5-9-25(19)28)20(16-21)17-29-22-11-13-24(14-12-22)31-23-7-2-1-3-8-23/h1-16,29H,17-18H2.
What are the key properties of N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline has a molecular weight of 433.91 g/mol, XLogP of 7.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline is sourced from PubChem (CID 126128028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).