4-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methoxyaniline

C15H14BrCl2NO — CID 82858118

IUPAC4-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methoxyaniline
SMILESCOc1cc(NC(C)c2ccc(Cl)cc2Cl)ccc1Br
InChIInChI=1S/C15H14BrCl2NO/c1-9(12-5-3-10(17)7-14(12)18)19-11-4-6-13(16)15(8-11)20-2/h3-9,19H,1-2H3
InChIKeyAIQJCTHWQDTEOI-UHFFFAOYSA-N
MW375.09 g/mol
LogP5.94
Rot. Bonds4

About 4-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methoxyaniline

4-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methoxyaniline (PubChem CID 82858118) has the molecular formula C15H14BrCl2NO and a molecular weight of 375.09 g/mol. Its IUPAC name is 4-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methoxyaniline
PubChem CID82858118
Molecular FormulaC15H14BrCl2NO
Molecular Weight375.09 g/mol
Exact Mass372.96
IUPAC Name4-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methoxyaniline
SMILESCOc1cc(NC(C)c2ccc(Cl)cc2Cl)ccc1Br
InChIInChI=1S/C15H14BrCl2NO/c1-9(12-5-3-10(17)7-14(12)18)19-11-4-6-13(16)15(8-11)20-2/h3-9,19H,1-2H3
InChIKeyAIQJCTHWQDTEOI-UHFFFAOYSA-N
XLogP5.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.09
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(4-bromo-3-methoxyanilino)ethyl]-3-fluorophenol
CID 107715362
4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 107618729
4-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-3-methoxyaniline
CID 82858351
N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43102770
3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43099454
4-bromo-N-[1-(3,5-difluorophenyl)ethyl]-3-methoxyaniline
CID 82857420
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-chloro-4-methoxyaniline
CID 82962595
4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline
CID 43110743
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylaniline
CID 82761651
N-[1-(4-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114837677
4-bromo-N-[1-(furan-2-yl)ethyl]-3-methoxyaniline
CID 82857963
2,4-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43683199

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methoxyaniline?
The IUPAC name of 4-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methoxyaniline (CID 82858118) is 4-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methoxyaniline.
What is the SMILES notation for 4-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methoxyaniline?
The canonical SMILES for 4-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methoxyaniline is COc1cc(NC(C)c2ccc(Cl)cc2Cl)ccc1Br.
What is the InChIKey of 4-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methoxyaniline?
The InChIKey is AIQJCTHWQDTEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO/c1-9(12-5-3-10(17)7-14(12)18)19-11-4-6-13(16)15(8-11)20-2/h3-9,19H,1-2H3.
What are the key properties of 4-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methoxyaniline?
4-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methoxyaniline has a molecular weight of 375.09 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methoxyaniline is sourced from PubChem (CID 82858118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).