6-bromo-2-chloro-3-ethoxyaniline

C8H9BrClNO — CID 118418845

IUPAC6-bromo-2-chloro-3-ethoxyaniline
SMILESCCOc1ccc(Br)c(N)c1Cl
InChIInChI=1S/C8H9BrClNO/c1-2-12-6-4-3-5(9)8(11)7(6)10/h3-4H,2,11H2,1H3
InChIKeyOJWICUPZRSXKKJ-UHFFFAOYSA-N
MW250.52 g/mol
LogP3.08
Rot. Bonds2

About 6-bromo-2-chloro-3-ethoxyaniline

6-bromo-2-chloro-3-ethoxyaniline (PubChem CID 118418845) has the molecular formula C8H9BrClNO and a molecular weight of 250.52 g/mol. Its IUPAC name is 6-bromo-2-chloro-3-ethoxyaniline.

Molecular Properties

Compound Name6-bromo-2-chloro-3-ethoxyaniline
PubChem CID118418845
Molecular FormulaC8H9BrClNO
Molecular Weight250.52 g/mol
Exact Mass248.96
IUPAC Name6-bromo-2-chloro-3-ethoxyaniline
SMILESCCOc1ccc(Br)c(N)c1Cl
InChIInChI=1S/C8H9BrClNO/c1-2-12-6-4-3-5(9)8(11)7(6)10/h3-4H,2,11H2,1H3
InChIKeyOJWICUPZRSXKKJ-UHFFFAOYSA-N
XLogP3.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.52
LogP ≤ 53.08
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

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CID 146035250
4-bromo-3-ethoxyaniline
CID 7015503
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CID 154642114
(2,6-dichloro-3-ethoxyphenyl)methanamine
CID 130863445
1,3-dichloro-4-ethoxy-2-iodobenzene
CID 171008192
4-bromo-3-ethoxybenzenesulfonamide
CID 47000870
2-amino-3,6-diethoxybenzenethiol
CID 65053438
3-(2-bromo-4-chlorophenoxy)-5-ethoxyaniline
CID 80747933
(3-amino-4,5-dichlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662563
2-N-(4-bromo-2,3-dichlorophenyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 107786999
3-chloro-6-ethoxy-2,4-dimethylaniline
CID 82053344
1-bromo-2-ethoxy-4-methylbenzene
CID 58741892

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-3-ethoxyaniline?
The IUPAC name of 6-bromo-2-chloro-3-ethoxyaniline (CID 118418845) is 6-bromo-2-chloro-3-ethoxyaniline.
What is the SMILES notation for 6-bromo-2-chloro-3-ethoxyaniline?
The canonical SMILES for 6-bromo-2-chloro-3-ethoxyaniline is CCOc1ccc(Br)c(N)c1Cl.
What is the InChIKey of 6-bromo-2-chloro-3-ethoxyaniline?
The InChIKey is OJWICUPZRSXKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO/c1-2-12-6-4-3-5(9)8(11)7(6)10/h3-4H,2,11H2,1H3.
What are the key properties of 6-bromo-2-chloro-3-ethoxyaniline?
6-bromo-2-chloro-3-ethoxyaniline has a molecular weight of 250.52 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-3-ethoxyaniline is sourced from PubChem (CID 118418845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).