5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-methoxyaniline

C14H12BrCl2NO — CID 63454126

IUPAC5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-methoxyaniline
SMILESCOc1ccc(Br)cc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12BrCl2NO/c1-19-14-5-3-10(15)6-13(14)18-8-9-2-4-11(16)7-12(9)17/h2-7,18H,8H2,1H3
InChIKeyQAGHCZJRAMUZKY-UHFFFAOYSA-N
MW361.07 g/mol
LogP5.38
Rot. Bonds4

About 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-methoxyaniline

5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-methoxyaniline (PubChem CID 63454126) has the molecular formula C14H12BrCl2NO and a molecular weight of 361.07 g/mol. Its IUPAC name is 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-methoxyaniline
PubChem CID63454126
Molecular FormulaC14H12BrCl2NO
Molecular Weight361.07 g/mol
Exact Mass358.95
IUPAC Name5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-methoxyaniline
SMILESCOc1ccc(Br)cc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12BrCl2NO/c1-19-14-5-3-10(15)6-13(14)18-8-9-2-4-11(16)7-12(9)17/h2-7,18H,8H2,1H3
InChIKeyQAGHCZJRAMUZKY-UHFFFAOYSA-N
XLogP5.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.07
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-methoxyaniline
CID 65316388
4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410874
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-4-methylaniline
CID 63451269
N-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline
CID 742591
N-[(5-bromo-2-methoxyphenyl)methyl]-2,4,5-trichloroaniline
CID 43324015
5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 63456231
5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline
CID 61060558
N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxyaniline
CID 43233998
N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline
CID 83235721
N-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline
CID 63450944
N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline
CID 66543977

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-methoxyaniline?
The IUPAC name of 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-methoxyaniline (CID 63454126) is 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-methoxyaniline.
What is the SMILES notation for 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-methoxyaniline?
The canonical SMILES for 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-methoxyaniline is COc1ccc(Br)cc1NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-methoxyaniline?
The InChIKey is QAGHCZJRAMUZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO/c1-19-14-5-3-10(15)6-13(14)18-8-9-2-4-11(16)7-12(9)17/h2-7,18H,8H2,1H3.
What are the key properties of 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-methoxyaniline?
5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-methoxyaniline has a molecular weight of 361.07 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-methoxyaniline is sourced from PubChem (CID 63454126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).