N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline

C21H19Br2NO2 — CID 126118057

IUPACN-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2cc(Br)ccc2OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H19Br2NO2/c1-25-20-9-7-19(8-10-20)24-13-16-12-18(23)6-11-21(16)26-14-15-2-4-17(22)5-3-15/h2-12,24H,13-14H2,1H3
InChIKeyBWGFMJGJWUWZFI-UHFFFAOYSA-N
MW477.20 g/mol
LogP6.41
Rot. Bonds7

About N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline

N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline (PubChem CID 126118057) has the molecular formula C21H19Br2NO2 and a molecular weight of 477.20 g/mol. Its IUPAC name is N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
PubChem CID126118057
Molecular FormulaC21H19Br2NO2
Molecular Weight477.20 g/mol
Exact Mass474.98
IUPAC NameN-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2cc(Br)ccc2OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H19Br2NO2/c1-25-20-9-7-19(8-10-20)24-13-16-12-18(23)6-11-21(16)26-14-15-2-4-17(22)5-3-15/h2-12,24H,13-14H2,1H3
InChIKeyBWGFMJGJWUWZFI-UHFFFAOYSA-N
XLogP6.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.20
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]aniline
CID 126212525
1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 60881982
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126121541
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrochloride
CID 17292844
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-methoxyphenyl)ethanamine;hydrochloride
CID 17292866
N-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methyl]aniline
CID 126116599
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353
N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126140521
5-bromo-2-[(4-methoxyanilino)methyl]phenol
CID 86023506
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724119
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethoxyaniline
CID 126123701
1-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine
CID 60906463

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline?
The IUPAC name of N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline (CID 126118057) is N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline.
What is the SMILES notation for N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline?
The canonical SMILES for N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline is COc1ccc(NCc2cc(Br)ccc2OCc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline?
The InChIKey is BWGFMJGJWUWZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Br2NO2/c1-25-20-9-7-19(8-10-20)24-13-16-12-18(23)6-11-21(16)26-14-15-2-4-17(22)5-3-15/h2-12,24H,13-14H2,1H3.
What are the key properties of N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline?
N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline has a molecular weight of 477.20 g/mol, XLogP of 6.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline is sourced from PubChem (CID 126118057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).