[1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine

C11H12BrF2N — CID 117441687

IUPAC[1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine
SMILESNCC1(c2cc(F)c(F)cc2Br)CCC1
InChIInChI=1S/C11H12BrF2N/c12-8-5-10(14)9(13)4-7(8)11(6-15)2-1-3-11/h4-5H,1-3,6,15H2
InChIKeyYTPYLJHQOGNENN-UHFFFAOYSA-N
MW276.12 g/mol
LogP3.11
Rot. Bonds2

About [1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine

[1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine (PubChem CID 117441687) has the molecular formula C11H12BrF2N and a molecular weight of 276.12 g/mol. Its IUPAC name is [1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine
PubChem CID117441687
Molecular FormulaC11H12BrF2N
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name[1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine
SMILESNCC1(c2cc(F)c(F)cc2Br)CCC1
InChIInChI=1S/C11H12BrF2N/c12-8-5-10(14)9(13)4-7(8)11(6-15)2-1-3-11/h4-5H,1-3,6,15H2
InChIKeyYTPYLJHQOGNENN-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine 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

2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
CID 84791404
[1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclobutyl]methanamine
CID 117496977
[1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine
CID 117310225
[1-(2,3-difluoro-5-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117351296
[1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine
CID 117432913
[1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine
CID 117284015
[1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine
CID 117453314
[1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine
CID 117468475
[1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine
CID 117461246
[1-[2,3-difluoro-5-(fluoromethyl)phenyl]cyclobutyl]methanamine
CID 117330241
3-[1-(aminomethyl)cyclobutyl]-4-bromo-6-fluoro-2-methoxyphenol
CID 117489148
[1-(4,5-difluoro-2-morpholin-4-ylphenyl)cyclopentyl]methanamine
CID 117113342

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine (CID 117441687) is [1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine is NCC1(c2cc(F)c(F)cc2Br)CCC1.
What is the InChIKey of [1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine?
The InChIKey is YTPYLJHQOGNENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2N/c12-8-5-10(14)9(13)4-7(8)11(6-15)2-1-3-11/h4-5H,1-3,6,15H2.
What are the key properties of [1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine?
[1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine has a molecular weight of 276.12 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117441687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).