4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine

C11H14BrF2N — CID 106273281

IUPAC4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
SMILESCC(CCN)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C11H14BrF2N/c1-7(4-5-15)6-8-10(13)3-2-9(12)11(8)14/h2-3,7H,4-6,15H2,1H3
InChIKeyZQBHLBZIRMBJEW-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.25
Rot. Bonds4

About 4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine

4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine (PubChem CID 106273281) has the molecular formula C11H14BrF2N and a molecular weight of 278.14 g/mol. Its IUPAC name is 4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
PubChem CID106273281
Molecular FormulaC11H14BrF2N
Molecular Weight278.14 g/mol
Exact Mass277.03
IUPAC Name4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
SMILESCC(CCN)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C11H14BrF2N/c1-7(4-5-15)6-8-10(13)3-2-9(12)11(8)14/h2-3,7H,4-6,15H2,1H3
InChIKeyZQBHLBZIRMBJEW-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine
CID 106273471
4-(3-bromo-2,6-difluorophenyl)butan-2-amine
CID 106943489
[1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 106270740
3-(3-bromo-2,6-difluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 106943534
2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)propan-1-ol
CID 106272227
1-(3-bromo-2,6-difluorophenyl)octan-2-amine
CID 106274291
1-(3-bromo-2,6-difluorophenyl)decan-2-amine
CID 106274012
1-(3-bromo-2,6-difluorophenyl)-5,5,5-trifluoropentan-2-amine
CID 106268059
2-[(3-bromo-2,6-difluorophenyl)methylsulfanyl]propan-1-amine
CID 106264259
1-(3-bromo-2,6-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 106267503
5-amino-2-[(3-bromo-2,6-difluorophenyl)methyl]pentanoic acid
CID 106272427
4-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-amine
CID 81013376

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine?
The IUPAC name of 4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine (CID 106273281) is 4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine.
What is the SMILES notation for 4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine?
The canonical SMILES for 4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine is CC(CCN)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine?
The InChIKey is ZQBHLBZIRMBJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2N/c1-7(4-5-15)6-8-10(13)3-2-9(12)11(8)14/h2-3,7H,4-6,15H2,1H3.
What are the key properties of 4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine?
4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine has a molecular weight of 278.14 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 106273281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).