N-[(2-bromo-5-methoxyphenyl)methyl]-3-chloro-4-methoxyaniline

C15H15BrClNO2 — CID 65324051

IUPACN-[(2-bromo-5-methoxyphenyl)methyl]-3-chloro-4-methoxyaniline
SMILESCOc1ccc(Br)c(CNc2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C15H15BrClNO2/c1-19-12-4-5-13(16)10(7-12)9-18-11-3-6-15(20-2)14(17)8-11/h3-8,18H,9H2,1-2H3
InChIKeyFIHVADLEJGSFOZ-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.73
Rot. Bonds5

About N-[(2-bromo-5-methoxyphenyl)methyl]-3-chloro-4-methoxyaniline

N-[(2-bromo-5-methoxyphenyl)methyl]-3-chloro-4-methoxyaniline (PubChem CID 65324051) has the molecular formula C15H15BrClNO2 and a molecular weight of 356.65 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methyl]-3-chloro-4-methoxyaniline.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methyl]-3-chloro-4-methoxyaniline
PubChem CID65324051
Molecular FormulaC15H15BrClNO2
Molecular Weight356.65 g/mol
Exact Mass355.00
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methyl]-3-chloro-4-methoxyaniline
SMILESCOc1ccc(Br)c(CNc2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C15H15BrClNO2/c1-19-12-4-5-13(16)10(7-12)9-18-11-3-6-15(20-2)14(17)8-11/h3-8,18H,9H2,1-2H3
InChIKeyFIHVADLEJGSFOZ-UHFFFAOYSA-N
XLogP4.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.73
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

N-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline
CID 65324117
2-[(3-chloro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61268573
N-[(2-bromo-5-methoxyphenyl)methyl]-4-tert-butylaniline
CID 65324147
N-[(2-bromo-5-chlorophenyl)methyl]-4-methoxyaniline
CID 66160837
N-[(6-bromo-2,3-dimethoxyphenyl)methyl]-3-chloro-4-methoxyaniline
CID 66543602
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3-methoxyaniline
CID 82857973
N-[(2-bromo-5-methoxyphenyl)methyl]-4-ethoxyaniline
CID 65323910
N-[(2-bromo-4-nitrophenyl)methyl]-3-chloro-4-methoxyaniline
CID 60791546
3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline
CID 107583118
3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-4-methoxyaniline
CID 106862038
N-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline
CID 65323536
2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol
CID 107272130

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-3-chloro-4-methoxyaniline?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-3-chloro-4-methoxyaniline (CID 65324051) is N-[(2-bromo-5-methoxyphenyl)methyl]-3-chloro-4-methoxyaniline.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methyl]-3-chloro-4-methoxyaniline?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methyl]-3-chloro-4-methoxyaniline is COc1ccc(Br)c(CNc2ccc(OC)c(Cl)c2)c1.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methyl]-3-chloro-4-methoxyaniline?
The InChIKey is FIHVADLEJGSFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2/c1-19-12-4-5-13(16)10(7-12)9-18-11-3-6-15(20-2)14(17)8-11/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methyl]-3-chloro-4-methoxyaniline?
N-[(2-bromo-5-methoxyphenyl)methyl]-3-chloro-4-methoxyaniline has a molecular weight of 356.65 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxyphenyl)methyl]-3-chloro-4-methoxyaniline is sourced from PubChem (CID 65324051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).