2-[(2,4-dibromophenoxy)methyl]aniline

C13H11Br2NO — CID 62055358

IUPAC2-[(2,4-dibromophenoxy)methyl]aniline
SMILESNc1ccccc1COc1ccc(Br)cc1Br
InChIInChI=1S/C13H11Br2NO/c14-10-5-6-13(11(15)7-10)17-8-9-3-1-2-4-12(9)16/h1-7H,8,16H2
InChIKeyYPHDEFDMIKDTAC-UHFFFAOYSA-N
MW357.05 g/mol
LogP4.37
Rot. Bonds3

About 2-[(2,4-dibromophenoxy)methyl]aniline

2-[(2,4-dibromophenoxy)methyl]aniline (PubChem CID 62055358) has the molecular formula C13H11Br2NO and a molecular weight of 357.05 g/mol. Its IUPAC name is 2-[(2,4-dibromophenoxy)methyl]aniline.

Molecular Properties

Compound Name2-[(2,4-dibromophenoxy)methyl]aniline
PubChem CID62055358
Molecular FormulaC13H11Br2NO
Molecular Weight357.05 g/mol
Exact Mass354.92
IUPAC Name2-[(2,4-dibromophenoxy)methyl]aniline
SMILESNc1ccccc1COc1ccc(Br)cc1Br
InChIInChI=1S/C13H11Br2NO/c14-10-5-6-13(11(15)7-10)17-8-9-3-1-2-4-12(9)16/h1-7H,8,16H2
InChIKeyYPHDEFDMIKDTAC-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.05
LogP ≤ 54.37
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-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine
CID 64718432
3-bromo-4-[(2-bromophenyl)methoxy]aniline
CID 82827730
5-bromo-2-[(2-chlorophenoxy)methyl]aniline
CID 114380727
2-[(2-bromophenyl)methoxy]aniline
CID 11208190
5-bromo-2-[(4-bromo-2-methylphenoxy)methyl]aniline
CID 114380845
3-[(2-bromo-4-methoxyphenoxy)methyl]-2-methylaniline
CID 104706661
2-[(4-bromo-2-chlorophenoxy)methyl]-5-chloroaniline
CID 63459720
3-[(2-bromophenoxy)methyl]-2-fluoroaniline
CID 107347891
5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 882526
2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline
CID 104706778
2-[(2-methylphenoxy)methyl]aniline
CID 21191823
N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide
CID 64720408

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dibromophenoxy)methyl]aniline?
The IUPAC name of 2-[(2,4-dibromophenoxy)methyl]aniline (CID 62055358) is 2-[(2,4-dibromophenoxy)methyl]aniline.
What is the SMILES notation for 2-[(2,4-dibromophenoxy)methyl]aniline?
The canonical SMILES for 2-[(2,4-dibromophenoxy)methyl]aniline is Nc1ccccc1COc1ccc(Br)cc1Br.
What is the InChIKey of 2-[(2,4-dibromophenoxy)methyl]aniline?
The InChIKey is YPHDEFDMIKDTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO/c14-10-5-6-13(11(15)7-10)17-8-9-3-1-2-4-12(9)16/h1-7H,8,16H2.
What are the key properties of 2-[(2,4-dibromophenoxy)methyl]aniline?
2-[(2,4-dibromophenoxy)methyl]aniline has a molecular weight of 357.05 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dibromophenoxy)methyl]aniline is sourced from PubChem (CID 62055358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).