2-bromo-4-chloro-6-(chloromethyl)aniline

C7H6BrCl2N — CID 149367160

IUPAC2-bromo-4-chloro-6-(chloromethyl)aniline
SMILESNc1c(Br)cc(Cl)cc1CCl
InChIInChI=1S/C7H6BrCl2N/c8-6-2-5(10)1-4(3-9)7(6)11/h1-2H,3,11H2
InChIKeyYJBRURAZAWXLBD-UHFFFAOYSA-N
MW254.94 g/mol
LogP3.42
Rot. Bonds1

About 2-bromo-4-chloro-6-(chloromethyl)aniline

2-bromo-4-chloro-6-(chloromethyl)aniline (PubChem CID 149367160) has the molecular formula C7H6BrCl2N and a molecular weight of 254.94 g/mol. Its IUPAC name is 2-bromo-4-chloro-6-(chloromethyl)aniline.

Molecular Properties

Compound Name2-bromo-4-chloro-6-(chloromethyl)aniline
PubChem CID149367160
Molecular FormulaC7H6BrCl2N
Molecular Weight254.94 g/mol
Exact Mass252.91
IUPAC Name2-bromo-4-chloro-6-(chloromethyl)aniline
SMILESNc1c(Br)cc(Cl)cc1CCl
InChIInChI=1S/C7H6BrCl2N/c8-6-2-5(10)1-4(3-9)7(6)11/h1-2H,3,11H2
InChIKeyYJBRURAZAWXLBD-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.94
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(chloromethyl)-6-(trifluoromethyl)aniline
CID 119021391
2-bromo-4-chloro-6-methylaniline
CID 20543754
4-chloro-2,6-diethylaniline
CID 14348967
2,4-dibromo-6-chloroaniline
CID 4295982
2-(3-amino-2-methylpropyl)-6-bromo-4-chlorophenol
CID 83904589
1-bromo-5-chloro-2-(chloromethyl)-3-fluorobenzene
CID 131587303
1-bromo-2-(bromomethyl)-4-chlorobenzene
CID 11846505
2-bromo-4-chloro-6-(2-hydroxyethyl)phenol
CID 25225387
2-(2,3-dibromo-5-chlorophenyl)acetonitrile
CID 171009483
(2S)-2-amino-2-(4-amino-3-bromo-5-chlorophenyl)propan-1-ol
CID 130611672
(2,3-diamino-5-chlorophenyl)methanol
CID 67106746
2,6-dibromo-4-chlorophenol
CID 21394

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-6-(chloromethyl)aniline?
The IUPAC name of 2-bromo-4-chloro-6-(chloromethyl)aniline (CID 149367160) is 2-bromo-4-chloro-6-(chloromethyl)aniline.
What is the SMILES notation for 2-bromo-4-chloro-6-(chloromethyl)aniline?
The canonical SMILES for 2-bromo-4-chloro-6-(chloromethyl)aniline is Nc1c(Br)cc(Cl)cc1CCl.
What is the InChIKey of 2-bromo-4-chloro-6-(chloromethyl)aniline?
The InChIKey is YJBRURAZAWXLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrCl2N/c8-6-2-5(10)1-4(3-9)7(6)11/h1-2H,3,11H2.
What are the key properties of 2-bromo-4-chloro-6-(chloromethyl)aniline?
2-bromo-4-chloro-6-(chloromethyl)aniline has a molecular weight of 254.94 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-6-(chloromethyl)aniline is sourced from PubChem (CID 149367160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).