[4-bromo-2-fluoro-6-(propan-2-ylamino)phenyl]-methoxyazanium

C10H15BrFN2O+ — CID 170970888

IUPAC[4-bromo-2-fluoro-6-(propan-2-ylamino)phenyl]-methoxyazanium
SMILESCO[NH2+]c1c(F)cc(Br)cc1NC(C)C
InChIInChI=1S/C10H14BrFN2O/c1-6(2)13-9-5-7(11)4-8(12)10(9)14-15-3/h4-6,13-14H,1-3H3/p+1
InChIKeyFWOUXWTWANMHKJ-UHFFFAOYSA-O
MW278.14 g/mol
LogP2.16
Rot. Bonds4

About [4-bromo-2-fluoro-6-(propan-2-ylamino)phenyl]-methoxyazanium

[4-bromo-2-fluoro-6-(propan-2-ylamino)phenyl]-methoxyazanium (PubChem CID 170970888) has the molecular formula C10H15BrFN2O+ and a molecular weight of 278.14 g/mol. Its IUPAC name is [4-bromo-2-fluoro-6-(propan-2-ylamino)phenyl]-methoxyazanium.

Molecular Properties

Compound Name[4-bromo-2-fluoro-6-(propan-2-ylamino)phenyl]-methoxyazanium
PubChem CID170970888
Molecular FormulaC10H15BrFN2O+
Molecular Weight278.14 g/mol
Exact Mass277.03
IUPAC Name[4-bromo-2-fluoro-6-(propan-2-ylamino)phenyl]-methoxyazanium
SMILESCO[NH2+]c1c(F)cc(Br)cc1NC(C)C
InChIInChI=1S/C10H14BrFN2O/c1-6(2)13-9-5-7(11)4-8(12)10(9)14-15-3/h4-6,13-14H,1-3H3/p+1
InChIKeyFWOUXWTWANMHKJ-UHFFFAOYSA-O
XLogP2.16
TPSA37.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-bromo-2-fluoro-6-(propan-2-ylamino)phenyl]-methoxyazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-fluoro-6-(propan-2-ylamino)phenyl]-methoxyazanium?
The IUPAC name of [4-bromo-2-fluoro-6-(propan-2-ylamino)phenyl]-methoxyazanium (CID 170970888) is [4-bromo-2-fluoro-6-(propan-2-ylamino)phenyl]-methoxyazanium.
What is the SMILES notation for [4-bromo-2-fluoro-6-(propan-2-ylamino)phenyl]-methoxyazanium?
The canonical SMILES for [4-bromo-2-fluoro-6-(propan-2-ylamino)phenyl]-methoxyazanium is CO[NH2+]c1c(F)cc(Br)cc1NC(C)C.
What is the InChIKey of [4-bromo-2-fluoro-6-(propan-2-ylamino)phenyl]-methoxyazanium?
The InChIKey is FWOUXWTWANMHKJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14BrFN2O/c1-6(2)13-9-5-7(11)4-8(12)10(9)14-15-3/h4-6,13-14H,1-3H3/p+1.
What are the key properties of [4-bromo-2-fluoro-6-(propan-2-ylamino)phenyl]-methoxyazanium?
[4-bromo-2-fluoro-6-(propan-2-ylamino)phenyl]-methoxyazanium has a molecular weight of 278.14 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-fluoro-6-(propan-2-ylamino)phenyl]-methoxyazanium is sourced from PubChem (CID 170970888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).