6-bromo-3-chloro-2-morpholin-4-ylaniline

C10H12BrClN2O — CID 106701530

IUPAC6-bromo-3-chloro-2-morpholin-4-ylaniline
SMILESNc1c(Br)ccc(Cl)c1N1CCOCC1
InChIInChI=1S/C10H12BrClN2O/c11-7-1-2-8(12)10(9(7)13)14-3-5-15-6-4-14/h1-2H,3-6,13H2
InChIKeyHZLBSBCLYBLMCU-UHFFFAOYSA-N
MW291.58 g/mol
LogP2.52
Rot. Bonds1

About 6-bromo-3-chloro-2-morpholin-4-ylaniline

6-bromo-3-chloro-2-morpholin-4-ylaniline (PubChem CID 106701530) has the molecular formula C10H12BrClN2O and a molecular weight of 291.58 g/mol. Its IUPAC name is 6-bromo-3-chloro-2-morpholin-4-ylaniline.

Molecular Properties

Compound Name6-bromo-3-chloro-2-morpholin-4-ylaniline
PubChem CID106701530
Molecular FormulaC10H12BrClN2O
Molecular Weight291.58 g/mol
Exact Mass289.98
IUPAC Name6-bromo-3-chloro-2-morpholin-4-ylaniline
SMILESNc1c(Br)ccc(Cl)c1N1CCOCC1
InChIInChI=1S/C10H12BrClN2O/c11-7-1-2-8(12)10(9(7)13)14-3-5-15-6-4-14/h1-2H,3-6,13H2
InChIKeyHZLBSBCLYBLMCU-UHFFFAOYSA-N
XLogP2.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.58
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-2-morpholin-4-ylaniline?
The IUPAC name of 6-bromo-3-chloro-2-morpholin-4-ylaniline (CID 106701530) is 6-bromo-3-chloro-2-morpholin-4-ylaniline.
What is the SMILES notation for 6-bromo-3-chloro-2-morpholin-4-ylaniline?
The canonical SMILES for 6-bromo-3-chloro-2-morpholin-4-ylaniline is Nc1c(Br)ccc(Cl)c1N1CCOCC1.
What is the InChIKey of 6-bromo-3-chloro-2-morpholin-4-ylaniline?
The InChIKey is HZLBSBCLYBLMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O/c11-7-1-2-8(12)10(9(7)13)14-3-5-15-6-4-14/h1-2H,3-6,13H2.
What are the key properties of 6-bromo-3-chloro-2-morpholin-4-ylaniline?
6-bromo-3-chloro-2-morpholin-4-ylaniline has a molecular weight of 291.58 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloro-2-morpholin-4-ylaniline is sourced from PubChem (CID 106701530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).