(3-bromo-2-fluorophenyl)-cyclobutylmethanamine

C11H13BrFN — CID 103693583

IUPAC(3-bromo-2-fluorophenyl)-cyclobutylmethanamine
SMILESNC(c1cccc(Br)c1F)C1CCC1
InChIInChI=1S/C11H13BrFN/c12-9-6-2-5-8(10(9)13)11(14)7-3-1-4-7/h2,5-7,11H,1,3-4,14H2
InChIKeyMLQLRBQMTZHKLZ-UHFFFAOYSA-N
MW258.13 g/mol
LogP3.39
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-cyclobutylmethanamine

(3-bromo-2-fluorophenyl)-cyclobutylmethanamine (PubChem CID 103693583) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-cyclobutylmethanamine.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-cyclobutylmethanamine
PubChem CID103693583
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name(3-bromo-2-fluorophenyl)-cyclobutylmethanamine
SMILESNC(c1cccc(Br)c1F)C1CCC1
InChIInChI=1S/C11H13BrFN/c12-9-6-2-5-8(10(9)13)11(14)7-3-1-4-7/h2,5-7,11H,1,3-4,14H2
InChIKeyMLQLRBQMTZHKLZ-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclobutyl-(2-fluoro-3-methylphenyl)methanamine
CID 112630963
(R)-(2-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171198060
(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanamine
CID 106645707
(S)-(3-bromo-2-chlorophenyl)-cyclobutylmethanamine
CID 130612686
(3-bromo-2-fluorophenyl)-(thiolan-2-yl)methanamine
CID 106645947
(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 112631047
(R)-(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 131483839
(R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171209319
(R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine
CID 131561213
(S)-cyclopentyl-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 171227390
(R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine
CID 130714890
(2-bromo-3,4-difluorophenyl)-cyclobutylmethanamine
CID 103852507

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-cyclobutylmethanamine?
The IUPAC name of (3-bromo-2-fluorophenyl)-cyclobutylmethanamine (CID 103693583) is (3-bromo-2-fluorophenyl)-cyclobutylmethanamine.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-cyclobutylmethanamine?
The canonical SMILES for (3-bromo-2-fluorophenyl)-cyclobutylmethanamine is NC(c1cccc(Br)c1F)C1CCC1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-cyclobutylmethanamine?
The InChIKey is MLQLRBQMTZHKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c12-9-6-2-5-8(10(9)13)11(14)7-3-1-4-7/h2,5-7,11H,1,3-4,14H2.
What are the key properties of (3-bromo-2-fluorophenyl)-cyclobutylmethanamine?
(3-bromo-2-fluorophenyl)-cyclobutylmethanamine has a molecular weight of 258.13 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-cyclobutylmethanamine is sourced from PubChem (CID 103693583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).