(2-bromo-3,4-difluorophenyl)-cyclobutylmethanamine

C11H12BrF2N — CID 103852507

IUPAC(2-bromo-3,4-difluorophenyl)-cyclobutylmethanamine
SMILESNC(c1ccc(F)c(F)c1Br)C1CCC1
InChIInChI=1S/C11H12BrF2N/c12-9-7(4-5-8(13)10(9)14)11(15)6-2-1-3-6/h4-6,11H,1-3,15H2
InChIKeyZWARTRSVHXRFIU-UHFFFAOYSA-N
MW276.12 g/mol
LogP3.53
Rot. Bonds2

About (2-bromo-3,4-difluorophenyl)-cyclobutylmethanamine

(2-bromo-3,4-difluorophenyl)-cyclobutylmethanamine (PubChem CID 103852507) has the molecular formula C11H12BrF2N and a molecular weight of 276.12 g/mol. Its IUPAC name is (2-bromo-3,4-difluorophenyl)-cyclobutylmethanamine.

Molecular Properties

Compound Name(2-bromo-3,4-difluorophenyl)-cyclobutylmethanamine
PubChem CID103852507
Molecular FormulaC11H12BrF2N
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name(2-bromo-3,4-difluorophenyl)-cyclobutylmethanamine
SMILESNC(c1ccc(F)c(F)c1Br)C1CCC1
InChIInChI=1S/C11H12BrF2N/c12-9-7(4-5-8(13)10(9)14)11(15)6-2-1-3-6/h4-6,11H,1-3,15H2
InChIKeyZWARTRSVHXRFIU-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-3,4-difluorophenyl)-cyclopentylmethanamine
CID 103852506
(2-bromo-3,4-difluorophenyl)-(4-methylcyclohexyl)methanamine
CID 107538638
6-[(R)-amino(cyclobutyl)methyl]-2-bromo-3-fluorophenol;hydrochloride
CID 171256976
cycloheptyl-(2,3,4-trifluorophenyl)methanamine
CID 65399083
(R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
CID 171205794
6-[(S)-amino(cyclopentyl)methyl]-2,3-difluorophenol
CID 131317967
(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 112631047
(R)-(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 131483839
(2-bromo-4-chlorophenyl)-cyclobutylmethanamine
CID 103947074
(R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine
CID 131561213
(3-bromo-2-fluorophenyl)-cyclobutylmethanamine
CID 103693583
(R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride
CID 171216193

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3,4-difluorophenyl)-cyclobutylmethanamine?
The IUPAC name of (2-bromo-3,4-difluorophenyl)-cyclobutylmethanamine (CID 103852507) is (2-bromo-3,4-difluorophenyl)-cyclobutylmethanamine.
What is the SMILES notation for (2-bromo-3,4-difluorophenyl)-cyclobutylmethanamine?
The canonical SMILES for (2-bromo-3,4-difluorophenyl)-cyclobutylmethanamine is NC(c1ccc(F)c(F)c1Br)C1CCC1.
What is the InChIKey of (2-bromo-3,4-difluorophenyl)-cyclobutylmethanamine?
The InChIKey is ZWARTRSVHXRFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2N/c12-9-7(4-5-8(13)10(9)14)11(15)6-2-1-3-6/h4-6,11H,1-3,15H2.
What are the key properties of (2-bromo-3,4-difluorophenyl)-cyclobutylmethanamine?
(2-bromo-3,4-difluorophenyl)-cyclobutylmethanamine has a molecular weight of 276.12 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3,4-difluorophenyl)-cyclobutylmethanamine is sourced from PubChem (CID 103852507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).