3-(2-bromo-4-methylphenoxy)-5-ethoxyaniline

C15H16BrNO2 — CID 80748837

IUPAC3-(2-bromo-4-methylphenoxy)-5-ethoxyaniline
SMILESCCOc1cc(N)cc(Oc2ccc(C)cc2Br)c1
InChIInChI=1S/C15H16BrNO2/c1-3-18-12-7-11(17)8-13(9-12)19-15-5-4-10(2)6-14(15)16/h4-9H,3,17H2,1-2H3
InChIKeyYGILOLAJMAHYRF-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.53
Rot. Bonds4

About 3-(2-bromo-4-methylphenoxy)-5-ethoxyaniline

3-(2-bromo-4-methylphenoxy)-5-ethoxyaniline (PubChem CID 80748837) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 3-(2-bromo-4-methylphenoxy)-5-ethoxyaniline.

Molecular Properties

Compound Name3-(2-bromo-4-methylphenoxy)-5-ethoxyaniline
PubChem CID80748837
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name3-(2-bromo-4-methylphenoxy)-5-ethoxyaniline
SMILESCCOc1cc(N)cc(Oc2ccc(C)cc2Br)c1
InChIInChI=1S/C15H16BrNO2/c1-3-18-12-7-11(17)8-13(9-12)19-15-5-4-10(2)6-14(15)16/h4-9H,3,17H2,1-2H3
InChIKeyYGILOLAJMAHYRF-UHFFFAOYSA-N
XLogP4.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dibromophenoxy)-5-ethoxyaniline
CID 80747735
3-(2-bromo-4-chlorophenoxy)-5-ethoxyaniline
CID 80747933
3-(2,5-dimethylphenoxy)-5-ethoxyaniline
CID 80748606
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
4-(2-bromo-4-ethoxyphenoxy)aniline
CID 22688226
3,5-diethoxyaniline
CID 22605063
3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline
CID 102980299
3-ethoxy-5-(2-ethylphenoxy)aniline
CID 80747947
3-ethoxy-5-methylaniline
CID 67863452
6-(2-bromo-4-methylphenoxy)-2-ethoxypyridin-3-amine
CID 43262424
3-ethoxy-5-naphthalen-1-yloxyaniline
CID 80751912
1-bromo-2-ethoxy-4-methylbenzene
CID 58741892

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-methylphenoxy)-5-ethoxyaniline?
The IUPAC name of 3-(2-bromo-4-methylphenoxy)-5-ethoxyaniline (CID 80748837) is 3-(2-bromo-4-methylphenoxy)-5-ethoxyaniline.
What is the SMILES notation for 3-(2-bromo-4-methylphenoxy)-5-ethoxyaniline?
The canonical SMILES for 3-(2-bromo-4-methylphenoxy)-5-ethoxyaniline is CCOc1cc(N)cc(Oc2ccc(C)cc2Br)c1.
What is the InChIKey of 3-(2-bromo-4-methylphenoxy)-5-ethoxyaniline?
The InChIKey is YGILOLAJMAHYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-3-18-12-7-11(17)8-13(9-12)19-15-5-4-10(2)6-14(15)16/h4-9H,3,17H2,1-2H3.
What are the key properties of 3-(2-bromo-4-methylphenoxy)-5-ethoxyaniline?
3-(2-bromo-4-methylphenoxy)-5-ethoxyaniline has a molecular weight of 322.20 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-methylphenoxy)-5-ethoxyaniline is sourced from PubChem (CID 80748837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).