2-bromo-5-(4-methoxyphenyl)aniline

C13H12BrNO — CID 115051242

IUPAC2-bromo-5-(4-methoxyphenyl)aniline
SMILESCOc1ccc(-c2ccc(Br)c(N)c2)cc1
InChIInChI=1S/C13H12BrNO/c1-16-11-5-2-9(3-6-11)10-4-7-12(14)13(15)8-10/h2-8H,15H2,1H3
InChIKeyRNSBKZYCDZNHSA-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.71
Rot. Bonds2

About 2-bromo-5-(4-methoxyphenyl)aniline

2-bromo-5-(4-methoxyphenyl)aniline (PubChem CID 115051242) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 2-bromo-5-(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name2-bromo-5-(4-methoxyphenyl)aniline
PubChem CID115051242
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name2-bromo-5-(4-methoxyphenyl)aniline
SMILESCOc1ccc(-c2ccc(Br)c(N)c2)cc1
InChIInChI=1S/C13H12BrNO/c1-16-11-5-2-9(3-6-11)10-4-7-12(14)13(15)8-10/h2-8H,15H2,1H3
InChIKeyRNSBKZYCDZNHSA-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

2-bromo-4-(4-methoxyphenyl)aniline
CID 115051245
2-bromo-4-(4-methoxyphenyl)phenol
CID 11492848
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
9,10-dibromo-2-(4-methoxyphenyl)anthracene
CID 59002235
2-bromo-5-[(5-methoxyindol-1-yl)methyl]aniline
CID 115557310
6-(4-methoxyphenyl)quinolin-4-amine
CID 91074771
[4-[4-amino-3-(4-methoxyphenyl)phenyl]phenyl]methanol
CID 143026466
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
5-bromo-2-(4-methoxyphenyl)-1,3-thiazol-4-amine
CID 116864276
2-(4-methoxyphenyl)-6-methylnaphthalene
CID 15099897
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-methoxyphenyl)aniline?
The IUPAC name of 2-bromo-5-(4-methoxyphenyl)aniline (CID 115051242) is 2-bromo-5-(4-methoxyphenyl)aniline.
What is the SMILES notation for 2-bromo-5-(4-methoxyphenyl)aniline?
The canonical SMILES for 2-bromo-5-(4-methoxyphenyl)aniline is COc1ccc(-c2ccc(Br)c(N)c2)cc1.
What is the InChIKey of 2-bromo-5-(4-methoxyphenyl)aniline?
The InChIKey is RNSBKZYCDZNHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c1-16-11-5-2-9(3-6-11)10-4-7-12(14)13(15)8-10/h2-8H,15H2,1H3.
What are the key properties of 2-bromo-5-(4-methoxyphenyl)aniline?
2-bromo-5-(4-methoxyphenyl)aniline 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 2-bromo-5-(4-methoxyphenyl)aniline is sourced from PubChem (CID 115051242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).