N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline

C26H22BrNO2 — CID 126117217

IUPACN-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
SMILESBrc1ccc(COc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C26H22BrNO2/c27-22-10-6-21(7-11-22)19-29-24-14-8-20(9-15-24)18-28-23-12-16-26(17-13-23)30-25-4-2-1-3-5-25/h1-17,28H,18-19H2
InChIKeyARKGFLUXLQLFQN-UHFFFAOYSA-N
MW460.37 g/mol
LogP7.43
Rot. Bonds8

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

N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline (PubChem CID 126117217) has the molecular formula C26H22BrNO2 and a molecular weight of 460.37 g/mol. Its IUPAC name is N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline.

Molecular Properties

Compound NameN-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
PubChem CID126117217
Molecular FormulaC26H22BrNO2
Molecular Weight460.37 g/mol
Exact Mass459.08
IUPAC NameN-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
SMILESBrc1ccc(COc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C26H22BrNO2/c27-22-10-6-21(7-11-22)19-29-24-14-8-20(9-15-24)18-28-23-12-16-26(17-13-23)30-25-4-2-1-3-5-25/h1-17,28H,18-19H2
InChIKeyARKGFLUXLQLFQN-UHFFFAOYSA-N
XLogP7.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.37
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117695
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117506
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126121541
4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
CID 126128104
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126121743
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126125185
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799476
N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline
CID 54796711
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126204323
N-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline
CID 118960656
N-[(4-hexoxyphenyl)methyl]-4-phenoxyaniline
CID 54796706
4-bromo-2-[(4-phenylmethoxyanilino)methyl]phenol
CID 51047282

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
The IUPAC name of N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline (CID 126117217) is N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline.
What is the SMILES notation for N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
The canonical SMILES for N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline is Brc1ccc(COc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
The InChIKey is ARKGFLUXLQLFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BrNO2/c27-22-10-6-21(7-11-22)19-29-24-14-8-20(9-15-24)18-28-23-12-16-26(17-13-23)30-25-4-2-1-3-5-25/h1-17,28H,18-19H2.
What are the key properties of N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline has a molecular weight of 460.37 g/mol, XLogP of 7.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline is sourced from PubChem (CID 126117217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).