5-(3-bromophenyl)-2-methoxyaniline

C13H12BrNO — CID 115503810

IUPAC5-(3-bromophenyl)-2-methoxyaniline
SMILESCOc1ccc(-c2cccc(Br)c2)cc1N
InChIInChI=1S/C13H12BrNO/c1-16-13-6-5-10(8-12(13)15)9-3-2-4-11(14)7-9/h2-8H,15H2,1H3
InChIKeyCIPIEAUDLLCZGN-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.71
Rot. Bonds2

About 5-(3-bromophenyl)-2-methoxyaniline

5-(3-bromophenyl)-2-methoxyaniline (PubChem CID 115503810) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 5-(3-bromophenyl)-2-methoxyaniline.

Molecular Properties

Compound Name5-(3-bromophenyl)-2-methoxyaniline
PubChem CID115503810
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name5-(3-bromophenyl)-2-methoxyaniline
SMILESCOc1ccc(-c2cccc(Br)c2)cc1N
InChIInChI=1S/C13H12BrNO/c1-16-13-6-5-10(8-12(13)15)9-3-2-4-11(14)7-9/h2-8H,15H2,1H3
InChIKeyCIPIEAUDLLCZGN-UHFFFAOYSA-N
XLogP3.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-bromophenyl)-1,2-dimethoxybenzene
CID 83666367
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
5-(3-bromophenyl)-2-methoxybenzaldehyde
CID 115503832
2-methoxy-5-(3-propylphenyl)aniline
CID 116545191
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methoxyaniline
CID 61415802
2-(3-bromophenyl)-7-methoxyquinazoline-4,6-diamine
CID 90282668
2-(3-bromophenyl)-3-methoxynaphthalene
CID 142353685
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene
CID 157477717
4-(3-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 75359610
2-methoxy-5-(1,2-thiazol-4-yl)aniline
CID 164648705
4-(3-amino-4-methoxyphenyl)benzene-1,3-diamine
CID 22062010

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-2-methoxyaniline?
The IUPAC name of 5-(3-bromophenyl)-2-methoxyaniline (CID 115503810) is 5-(3-bromophenyl)-2-methoxyaniline.
What is the SMILES notation for 5-(3-bromophenyl)-2-methoxyaniline?
The canonical SMILES for 5-(3-bromophenyl)-2-methoxyaniline is COc1ccc(-c2cccc(Br)c2)cc1N.
What is the InChIKey of 5-(3-bromophenyl)-2-methoxyaniline?
The InChIKey is CIPIEAUDLLCZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c1-16-13-6-5-10(8-12(13)15)9-3-2-4-11(14)7-9/h2-8H,15H2,1H3.
What are the key properties of 5-(3-bromophenyl)-2-methoxyaniline?
5-(3-bromophenyl)-2-methoxyaniline has a molecular weight of 278.15 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-2-methoxyaniline is sourced from PubChem (CID 115503810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).