bromo-(5-bromo-2-methoxyphenyl)methanamine

C8H9Br2NO — CID 116947587

IUPACbromo-(5-bromo-2-methoxyphenyl)methanamine
SMILESCOc1ccc(Br)cc1C(N)Br
InChIInChI=1S/C8H9Br2NO/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,8H,11H2,1H3
InChIKeyNRVCIKCYHCZZBV-UHFFFAOYSA-N
MW294.97 g/mol
LogP2.81
Rot. Bonds2

About bromo-(5-bromo-2-methoxyphenyl)methanamine

bromo-(5-bromo-2-methoxyphenyl)methanamine (PubChem CID 116947587) has the molecular formula C8H9Br2NO and a molecular weight of 294.97 g/mol. Its IUPAC name is bromo-(5-bromo-2-methoxyphenyl)methanamine.

Molecular Properties

Compound Namebromo-(5-bromo-2-methoxyphenyl)methanamine
PubChem CID116947587
Molecular FormulaC8H9Br2NO
Molecular Weight294.97 g/mol
Exact Mass292.91
IUPAC Namebromo-(5-bromo-2-methoxyphenyl)methanamine
SMILESCOc1ccc(Br)cc1C(N)Br
InChIInChI=1S/C8H9Br2NO/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,8H,11H2,1H3
InChIKeyNRVCIKCYHCZZBV-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.97
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze bromo-(5-bromo-2-methoxyphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromo-2-methoxyphenyl)-methoxymethanamine
CID 116947257
(1S)-1-(5-bromo-2-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171201580
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-amine
CID 43149088
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid
CID 7046821
1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene
CID 114374882
(1R)-1-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 171201592
(1S)-1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171221153
4-[amino-(5-bromo-2-methoxyphenyl)methyl]aniline
CID 116936765
(1S)-1-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 171221129
(1R)-1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171201616
(1R)-1-(5-bromo-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171201596

Frequently Asked Questions

What is the IUPAC name of bromo-(5-bromo-2-methoxyphenyl)methanamine?
The IUPAC name of bromo-(5-bromo-2-methoxyphenyl)methanamine (CID 116947587) is bromo-(5-bromo-2-methoxyphenyl)methanamine.
What is the SMILES notation for bromo-(5-bromo-2-methoxyphenyl)methanamine?
The canonical SMILES for bromo-(5-bromo-2-methoxyphenyl)methanamine is COc1ccc(Br)cc1C(N)Br.
What is the InChIKey of bromo-(5-bromo-2-methoxyphenyl)methanamine?
The InChIKey is NRVCIKCYHCZZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2NO/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,8H,11H2,1H3.
What are the key properties of bromo-(5-bromo-2-methoxyphenyl)methanamine?
bromo-(5-bromo-2-methoxyphenyl)methanamine has a molecular weight of 294.97 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-(5-bromo-2-methoxyphenyl)methanamine is sourced from PubChem (CID 116947587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).