3-bromo-2-[(2,5-dichlorophenyl)methoxy]aniline

C13H10BrCl2NO — CID 81499382

IUPAC3-bromo-2-[(2,5-dichlorophenyl)methoxy]aniline
SMILESNc1cccc(Br)c1OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H10BrCl2NO/c14-10-2-1-3-12(17)13(10)18-7-8-6-9(15)4-5-11(8)16/h1-6H,7,17H2
InChIKeyRZKKAZIYMVWYGD-UHFFFAOYSA-N
MW347.04 g/mol
LogP4.92
Rot. Bonds3

About 3-bromo-2-[(2,5-dichlorophenyl)methoxy]aniline

3-bromo-2-[(2,5-dichlorophenyl)methoxy]aniline (PubChem CID 81499382) has the molecular formula C13H10BrCl2NO and a molecular weight of 347.04 g/mol. Its IUPAC name is 3-bromo-2-[(2,5-dichlorophenyl)methoxy]aniline.

Molecular Properties

Compound Name3-bromo-2-[(2,5-dichlorophenyl)methoxy]aniline
PubChem CID81499382
Molecular FormulaC13H10BrCl2NO
Molecular Weight347.04 g/mol
Exact Mass344.93
IUPAC Name3-bromo-2-[(2,5-dichlorophenyl)methoxy]aniline
SMILESNc1cccc(Br)c1OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H10BrCl2NO/c14-10-2-1-3-12(17)13(10)18-7-8-6-9(15)4-5-11(8)16/h1-6H,7,17H2
InChIKeyRZKKAZIYMVWYGD-UHFFFAOYSA-N
XLogP4.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.04
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-2-[(2,5-dichlorophenyl)methoxy]aniline 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

3-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]aniline
CID 102615065
3-[(2,5-dichlorophenyl)methoxy]-2-methylaniline
CID 65318206
3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde
CID 112611220
[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112612937
2-(2-amino-6-bromophenoxy)-1-(3-chlorophenyl)ethanone
CID 59379213
2-[3-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 114857497
4-[(2-amino-6-bromophenoxy)methyl]phenol
CID 81499279
1-bromo-3-(bromomethyl)-2-[(5-chloro-2-methoxyphenyl)methoxy]benzene
CID 63536729
1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
CID 65317932
3-bromo-2-[(2-chloro-6-fluorophenoxy)methyl]aniline
CID 83050868
4-[(2-amino-6-bromophenoxy)methyl]-3-methylbenzamide
CID 114479028
N-[[3-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63501536

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(2,5-dichlorophenyl)methoxy]aniline?
The IUPAC name of 3-bromo-2-[(2,5-dichlorophenyl)methoxy]aniline (CID 81499382) is 3-bromo-2-[(2,5-dichlorophenyl)methoxy]aniline.
What is the SMILES notation for 3-bromo-2-[(2,5-dichlorophenyl)methoxy]aniline?
The canonical SMILES for 3-bromo-2-[(2,5-dichlorophenyl)methoxy]aniline is Nc1cccc(Br)c1OCc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-bromo-2-[(2,5-dichlorophenyl)methoxy]aniline?
The InChIKey is RZKKAZIYMVWYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO/c14-10-2-1-3-12(17)13(10)18-7-8-6-9(15)4-5-11(8)16/h1-6H,7,17H2.
What are the key properties of 3-bromo-2-[(2,5-dichlorophenyl)methoxy]aniline?
3-bromo-2-[(2,5-dichlorophenyl)methoxy]aniline has a molecular weight of 347.04 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(2,5-dichlorophenyl)methoxy]aniline is sourced from PubChem (CID 81499382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).