5-(2-aminophenyl)-2-bromoaniline

C12H11BrN2 — CID 102241446

IUPAC5-(2-aminophenyl)-2-bromoaniline
SMILESNc1cc(-c2ccccc2N)ccc1Br
InChIInChI=1S/C12H11BrN2/c13-10-6-5-8(7-12(10)15)9-3-1-2-4-11(9)14/h1-7H,14-15H2
InChIKeyKMPKIDJQMIMWGD-UHFFFAOYSA-N
MW263.14 g/mol
LogP3.28
Rot. Bonds1

About 5-(2-aminophenyl)-2-bromoaniline

5-(2-aminophenyl)-2-bromoaniline (PubChem CID 102241446) has the molecular formula C12H11BrN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 5-(2-aminophenyl)-2-bromoaniline.

Molecular Properties

Compound Name5-(2-aminophenyl)-2-bromoaniline
PubChem CID102241446
Molecular FormulaC12H11BrN2
Molecular Weight263.14 g/mol
Exact Mass262.01
IUPAC Name5-(2-aminophenyl)-2-bromoaniline
SMILESNc1cc(-c2ccccc2N)ccc1Br
InChIInChI=1S/C12H11BrN2/c13-10-6-5-8(7-12(10)15)9-3-1-2-4-11(9)14/h1-7H,14-15H2
InChIKeyKMPKIDJQMIMWGD-UHFFFAOYSA-N
XLogP3.28
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-4-bromophenyl)phenol
CID 115049178
5-(2-aminophenyl)-2-methylaniline
CID 68793709
2-[3-(2-aminophenyl)phenyl]aniline
CID 69336555
2-(3,4-dimethylphenyl)aniline;hydrochloride
CID 2758548
2-bromoaniline
CID 162048621
2-phenanthren-3-ylaniline
CID 118107877
4-(2-bromophenyl)-2-methylaniline
CID 115503558
2-phenylaniline;hydrochloride
CID 5284347
CID 159962191
CID 159962191
palladium(2+);2-phenylaniline
CID 175718665
2-[4-(4-methylphenyl)phenyl]aniline
CID 154563208
4-(2-aminophenyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 68785889

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminophenyl)-2-bromoaniline?
The IUPAC name of 5-(2-aminophenyl)-2-bromoaniline (CID 102241446) is 5-(2-aminophenyl)-2-bromoaniline.
What is the SMILES notation for 5-(2-aminophenyl)-2-bromoaniline?
The canonical SMILES for 5-(2-aminophenyl)-2-bromoaniline is Nc1cc(-c2ccccc2N)ccc1Br.
What is the InChIKey of 5-(2-aminophenyl)-2-bromoaniline?
The InChIKey is KMPKIDJQMIMWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2/c13-10-6-5-8(7-12(10)15)9-3-1-2-4-11(9)14/h1-7H,14-15H2.
What are the key properties of 5-(2-aminophenyl)-2-bromoaniline?
5-(2-aminophenyl)-2-bromoaniline has a molecular weight of 263.14 g/mol, XLogP of 3.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminophenyl)-2-bromoaniline is sourced from PubChem (CID 102241446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).