2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline

C15H16BrNO2 — CID 63216601

IUPAC2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline
SMILESCc1cc(Br)ccc1OCCOc1ccccc1N
InChIInChI=1S/C15H16BrNO2/c1-11-10-12(16)6-7-14(11)18-8-9-19-15-5-3-2-4-13(15)17/h2-7,10H,8-9,17H2,1H3
InChIKeyQVQUHRKHHWLHIY-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.80
Rot. Bonds5

About 2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline

2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline (PubChem CID 63216601) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline.

Molecular Properties

Compound Name2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline
PubChem CID63216601
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline
SMILESCc1cc(Br)ccc1OCCOc1ccccc1N
InChIInChI=1S/C15H16BrNO2/c1-11-10-12(16)6-7-14(11)18-8-9-19-15-5-3-2-4-13(15)17/h2-7,10H,8-9,17H2,1H3
InChIKeyQVQUHRKHHWLHIY-UHFFFAOYSA-N
XLogP3.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-bromo-2-methylphenoxy)ethoxy]benzenecarbothioamide
CID 63216877
4-bromo-1-(2-bromoethoxy)-2-methylbenzene
CID 63216698
1-(2-aminophenyl)-2-(4-bromo-2-methylphenoxy)ethanol
CID 63216911
N-(2-aminophenyl)-3-(4-bromo-2-methylphenoxy)propanamide
CID 63213428
5-bromo-2-[(4-bromo-2-methylphenoxy)methyl]aniline
CID 114380845
N-[2-(4-bromo-2-methylphenoxy)ethyl]aniline
CID 63214405
2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine
CID 20679125
4-bromo-1-(6-chlorohexoxy)-2-methylbenzene
CID 63498941
4-bromo-2-[2-(2-methylphenoxy)ethylsulfanyl]aniline
CID 79533720
4-bromo-2-methyl-1-(4-methylpentoxy)benzene
CID 83156668
4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359276
4-bromo-2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 63217061

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline?
The IUPAC name of 2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline (CID 63216601) is 2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline.
What is the SMILES notation for 2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline?
The canonical SMILES for 2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline is Cc1cc(Br)ccc1OCCOc1ccccc1N.
What is the InChIKey of 2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline?
The InChIKey is QVQUHRKHHWLHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-11-10-12(16)6-7-14(11)18-8-9-19-15-5-3-2-4-13(15)17/h2-7,10H,8-9,17H2,1H3.
What are the key properties of 2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline?
2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline has a molecular weight of 322.20 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline is sourced from PubChem (CID 63216601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).