4-(4-bromophenoxy)-2-methoxyaniline

C13H12BrNO2 — CID 55234373

IUPAC4-(4-bromophenoxy)-2-methoxyaniline
SMILESCOc1cc(Oc2ccc(Br)cc2)ccc1N
InChIInChI=1S/C13H12BrNO2/c1-16-13-8-11(6-7-12(13)15)17-10-4-2-9(14)3-5-10/h2-8H,15H2,1H3
InChIKeySEMLUSVWHVVNJE-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.83
Rot. Bonds3

About 4-(4-bromophenoxy)-2-methoxyaniline

4-(4-bromophenoxy)-2-methoxyaniline (PubChem CID 55234373) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-2-methoxyaniline.

Molecular Properties

Compound Name4-(4-bromophenoxy)-2-methoxyaniline
PubChem CID55234373
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name4-(4-bromophenoxy)-2-methoxyaniline
SMILESCOc1cc(Oc2ccc(Br)cc2)ccc1N
InChIInChI=1S/C13H12BrNO2/c1-16-13-8-11(6-7-12(13)15)17-10-4-2-9(14)3-5-10/h2-8H,15H2,1H3
InChIKeySEMLUSVWHVVNJE-UHFFFAOYSA-N
XLogP3.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.83
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

4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline
CID 63675945
4-[4-[[4-(4-amino-3-methoxyphenoxy)phenyl]methyl]phenoxy]-2-methoxyaniline
CID 139713014
4-(4-tert-butylphenoxy)-2-methoxyaniline
CID 63675564
4-[4-[1,1-bis[4-(4-amino-3-methoxyphenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 66649899
4-(4-ethylphenoxy)-2-methoxyaniline
CID 63678406
4-[4-[1-[4-(4-amino-3-methoxyphenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 139713080
4-[4-[1-[4-(4-aminophenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 139712997
4-(2-bromo-4-methylphenoxy)-2-methoxyaniline
CID 55232767
2-(5-bromo-2-methylphenoxy)-4-methoxyaniline
CID 107283339
3-(4-amino-3-methoxyphenoxy)-5-methoxybenzonitrile
CID 103566398
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
2-ethoxy-4-(4-methoxyphenoxy)aniline
CID 63675944

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-2-methoxyaniline?
The IUPAC name of 4-(4-bromophenoxy)-2-methoxyaniline (CID 55234373) is 4-(4-bromophenoxy)-2-methoxyaniline.
What is the SMILES notation for 4-(4-bromophenoxy)-2-methoxyaniline?
The canonical SMILES for 4-(4-bromophenoxy)-2-methoxyaniline is COc1cc(Oc2ccc(Br)cc2)ccc1N.
What is the InChIKey of 4-(4-bromophenoxy)-2-methoxyaniline?
The InChIKey is SEMLUSVWHVVNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-16-13-8-11(6-7-12(13)15)17-10-4-2-9(14)3-5-10/h2-8H,15H2,1H3.
What are the key properties of 4-(4-bromophenoxy)-2-methoxyaniline?
4-(4-bromophenoxy)-2-methoxyaniline has a molecular weight of 294.15 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-2-methoxyaniline is sourced from PubChem (CID 55234373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).