4-bromo-3-ethoxyaniline

C8H10BrNO — CID 7015503

IUPAC4-bromo-3-ethoxyaniline
SMILESCCOc1cc(N)ccc1Br
InChIInChI=1S/C8H10BrNO/c1-2-11-8-5-6(10)3-4-7(8)9/h3-5H,2,10H2,1H3
InChIKeyQQAPQSYFPIYHGU-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.43
Rot. Bonds2

About 4-bromo-3-ethoxyaniline

4-bromo-3-ethoxyaniline (PubChem CID 7015503) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 4-bromo-3-ethoxyaniline.

Molecular Properties

Compound Name4-bromo-3-ethoxyaniline
PubChem CID7015503
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name4-bromo-3-ethoxyaniline
SMILESCCOc1cc(N)ccc1Br
InChIInChI=1S/C8H10BrNO/c1-2-11-8-5-6(10)3-4-7(8)9/h3-5H,2,10H2,1H3
InChIKeyQQAPQSYFPIYHGU-UHFFFAOYSA-N
XLogP2.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.43
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

4-bromo-3-(ethoxymethoxy)aniline
CID 103009022
4-bromo-3-heptoxyaniline
CID 103008551
4-bromo-3-(2-methylbutoxy)aniline
CID 103008806
1-bromo-2-ethoxy-4-methylbenzene
CID 58741892
4-amino-2-ethoxyphenol
CID 12856010
4-bromo-3-(2-butoxyethoxy)aniline
CID 103009126
4-bromo-3-(2,2,2-trifluoroethoxy)aniline
CID 99770357
4-bromo-3-methoxyaniline;iron
CID 158491783
4-bromo-3-ethoxybenzenesulfonamide
CID 47000870
4-bromo-3-ethoxy-N-methylaniline
CID 175242826
4-bromo-3-[(4-tert-butylphenyl)methoxy]aniline
CID 103009139
6-(5-amino-2-bromophenoxy)hexan-1-ol
CID 107702035

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-ethoxyaniline?
The IUPAC name of 4-bromo-3-ethoxyaniline (CID 7015503) is 4-bromo-3-ethoxyaniline.
What is the SMILES notation for 4-bromo-3-ethoxyaniline?
The canonical SMILES for 4-bromo-3-ethoxyaniline is CCOc1cc(N)ccc1Br.
What is the InChIKey of 4-bromo-3-ethoxyaniline?
The InChIKey is QQAPQSYFPIYHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-2-11-8-5-6(10)3-4-7(8)9/h3-5H,2,10H2,1H3.
What are the key properties of 4-bromo-3-ethoxyaniline?
4-bromo-3-ethoxyaniline has a molecular weight of 216.08 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-ethoxyaniline is sourced from PubChem (CID 7015503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).