4-bromo-N-[2-(5-bromo-2-methylphenoxy)ethyl]aniline

C15H15Br2NO — CID 107286344

IUPAC4-bromo-N-[2-(5-bromo-2-methylphenoxy)ethyl]aniline
SMILESCc1ccc(Br)cc1OCCNc1ccc(Br)cc1
InChIInChI=1S/C15H15Br2NO/c1-11-2-3-13(17)10-15(11)19-9-8-18-14-6-4-12(16)5-7-14/h2-7,10,18H,8-9H2,1H3
InChIKeyBVDUZLMSFADZDB-UHFFFAOYSA-N
MW385.10 g/mol
LogP5.01
Rot. Bonds5

About 4-bromo-N-[2-(5-bromo-2-methylphenoxy)ethyl]aniline

4-bromo-N-[2-(5-bromo-2-methylphenoxy)ethyl]aniline (PubChem CID 107286344) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is 4-bromo-N-[2-(5-bromo-2-methylphenoxy)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[2-(5-bromo-2-methylphenoxy)ethyl]aniline
PubChem CID107286344
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name4-bromo-N-[2-(5-bromo-2-methylphenoxy)ethyl]aniline
SMILESCc1ccc(Br)cc1OCCNc1ccc(Br)cc1
InChIInChI=1S/C15H15Br2NO/c1-11-2-3-13(17)10-15(11)19-9-8-18-14-6-4-12(16)5-7-14/h2-7,10,18H,8-9H2,1H3
InChIKeyBVDUZLMSFADZDB-UHFFFAOYSA-N
XLogP5.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.10
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[2-(2,3,5-trimethylphenoxy)ethyl]aniline
CID 63516850
N-[2-(4-bromo-2-methylphenoxy)ethyl]aniline
CID 63214405
4-bromo-N-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]aniline
CID 115402812
N-[2-(5-bromo-2-methylphenoxy)ethyl]-2-methoxyethanamine
CID 107286415
4-bromo-N-[2-(2,6-dimethylphenoxy)ethyl]aniline
CID 63506215
4-bromo-2-(3,3-dimethylbutoxy)-1-methylbenzene
CID 107283981
4-bromo-2-(2-chloroethoxy)-1-methylbenzene
CID 107283647
3-(5-bromo-2-methylphenoxy)propan-1-amine
CID 82648257
4-bromo-1-methyl-2-[2-(trifluoromethoxy)ethoxy]benzene
CID 107284110
4-bromo-2-hexoxy-1-methylbenzene
CID 59244054
4-(5-bromo-2-methylphenoxy)butan-1-amine
CID 107283575
4-bromo-N-[2-(2-methylsulfanylphenoxy)ethyl]aniline
CID 63648942

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(5-bromo-2-methylphenoxy)ethyl]aniline?
The IUPAC name of 4-bromo-N-[2-(5-bromo-2-methylphenoxy)ethyl]aniline (CID 107286344) is 4-bromo-N-[2-(5-bromo-2-methylphenoxy)ethyl]aniline.
What is the SMILES notation for 4-bromo-N-[2-(5-bromo-2-methylphenoxy)ethyl]aniline?
The canonical SMILES for 4-bromo-N-[2-(5-bromo-2-methylphenoxy)ethyl]aniline is Cc1ccc(Br)cc1OCCNc1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(5-bromo-2-methylphenoxy)ethyl]aniline?
The InChIKey is BVDUZLMSFADZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c1-11-2-3-13(17)10-15(11)19-9-8-18-14-6-4-12(16)5-7-14/h2-7,10,18H,8-9H2,1H3.
What are the key properties of 4-bromo-N-[2-(5-bromo-2-methylphenoxy)ethyl]aniline?
4-bromo-N-[2-(5-bromo-2-methylphenoxy)ethyl]aniline has a molecular weight of 385.10 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(5-bromo-2-methylphenoxy)ethyl]aniline is sourced from PubChem (CID 107286344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).