1-[2-(3-bromo-2,6-difluorophenyl)cyclobutyl]-N-methylmethanamine

C12H14BrF2N — CID 106943885

IUPAC1-[2-(3-bromo-2,6-difluorophenyl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1c1c(F)ccc(Br)c1F
InChIInChI=1S/C12H14BrF2N/c1-16-6-7-2-3-8(7)11-10(14)5-4-9(13)12(11)15/h4-5,7-8,16H,2-3,6H2,1H3
InChIKeyAPVSUKLWZXXBCZ-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.44
Rot. Bonds3

About 1-[2-(3-bromo-2,6-difluorophenyl)cyclobutyl]-N-methylmethanamine

1-[2-(3-bromo-2,6-difluorophenyl)cyclobutyl]-N-methylmethanamine (PubChem CID 106943885) has the molecular formula C12H14BrF2N and a molecular weight of 290.15 g/mol. Its IUPAC name is 1-[2-(3-bromo-2,6-difluorophenyl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-bromo-2,6-difluorophenyl)cyclobutyl]-N-methylmethanamine
PubChem CID106943885
Molecular FormulaC12H14BrF2N
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name1-[2-(3-bromo-2,6-difluorophenyl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1c1c(F)ccc(Br)c1F
InChIInChI=1S/C12H14BrF2N/c1-16-6-7-2-3-8(7)11-10(14)5-4-9(13)12(11)15/h4-5,7-8,16H,2-3,6H2,1H3
InChIKeyAPVSUKLWZXXBCZ-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[2-(3-bromo-2,6-difluorophenyl)cyclobutyl]-N-methylmethanamine 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

1-[2-(3-bromo-2,6-difluorophenyl)cycloheptyl]-N-methylmethanamine
CID 106943912
N-[[2-(3-bromo-2,6-difluorophenyl)cycloheptyl]methyl]propan-2-amine
CID 106943915
1-[2-(2,6-difluoro-3-methylphenyl)cycloheptyl]-N-methylmethanamine
CID 82828592
N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine
CID 81016865
1-[2-(4-chlorophenyl)cyclobutyl]-N-methylmethanamine
CID 81017888
[2-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexyl]methanamine
CID 106943871
1-[2-(3-bromothiophen-2-yl)cyclobutyl]-N-methylmethanamine
CID 81017794
N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclopentyl]methanamine
CID 81034120
1-[2-(4-bromo-3-chloro-2-fluorophenyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 106763857
1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 116811386
1-[4-ethyl-2-(2,3,4-trifluorophenyl)cyclohexyl]-N-methylmethanamine
CID 81031996
1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 81018324

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-2,6-difluorophenyl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-bromo-2,6-difluorophenyl)cyclobutyl]-N-methylmethanamine (CID 106943885) is 1-[2-(3-bromo-2,6-difluorophenyl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-bromo-2,6-difluorophenyl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-bromo-2,6-difluorophenyl)cyclobutyl]-N-methylmethanamine is CNCC1CCC1c1c(F)ccc(Br)c1F.
What is the InChIKey of 1-[2-(3-bromo-2,6-difluorophenyl)cyclobutyl]-N-methylmethanamine?
The InChIKey is APVSUKLWZXXBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2N/c1-16-6-7-2-3-8(7)11-10(14)5-4-9(13)12(11)15/h4-5,7-8,16H,2-3,6H2,1H3.
What are the key properties of 1-[2-(3-bromo-2,6-difluorophenyl)cyclobutyl]-N-methylmethanamine?
1-[2-(3-bromo-2,6-difluorophenyl)cyclobutyl]-N-methylmethanamine has a molecular weight of 290.15 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-2,6-difluorophenyl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 106943885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).