2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine

C11H13BrFN — CID 81015031

IUPAC2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine
SMILESNC1CCC1Cc1cc(F)ccc1Br
InChIInChI=1S/C11H13BrFN/c12-10-3-2-9(13)6-8(10)5-7-1-4-11(7)14/h2-3,6-7,11H,1,4-5,14H2
InChIKeyOKWCUESLTIHCTM-UHFFFAOYSA-N
MW258.13 g/mol
LogP2.87
Rot. Bonds2

About 2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine

2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine (PubChem CID 81015031) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine
PubChem CID81015031
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine
SMILESNC1CCC1Cc1cc(F)ccc1Br
InChIInChI=1S/C11H13BrFN/c12-10-3-2-9(13)6-8(10)5-7-1-4-11(7)14/h2-3,6-7,11H,1,4-5,14H2
InChIKeyOKWCUESLTIHCTM-UHFFFAOYSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-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

2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 81014650
2-[(2-bromo-4-fluorophenyl)methyl]cyclohexan-1-amine
CID 61382402
1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene
CID 64910113
3-[(2-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine
CID 64908983
6-[(2-bromo-5-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403688
[2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 81012625
1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 81033459
2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 63460147
3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 64910057
2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102616731
1-bromo-2-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-fluorobenzene
CID 63471295
2-[(2-bromo-5-fluorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 81020954

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine (CID 81015031) is 2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine is NC1CCC1Cc1cc(F)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine?
The InChIKey is OKWCUESLTIHCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c12-10-3-2-9(13)6-8(10)5-7-1-4-11(7)14/h2-3,6-7,11H,1,4-5,14H2.
What are the key properties of 2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine?
2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine has a molecular weight of 258.13 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 81015031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).