(R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine

C11H13BrFN — CID 130054470

IUPAC(R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine
SMILESN[C@@H](c1ccc(F)c(Br)c1)C1CCC1
InChIInChI=1S/C11H13BrFN/c12-9-6-8(4-5-10(9)13)11(14)7-2-1-3-7/h4-7,11H,1-3,14H2/t11-/m1/s1
InChIKeyUBTWZOSRMXSTAU-LLVKDONJSA-N
MW258.13 g/mol
LogP3.39
Rot. Bonds2

About (R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine

(R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine (PubChem CID 130054470) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is (R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine.

Molecular Properties

Compound Name(R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine
PubChem CID130054470
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name(R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine
SMILESN[C@@H](c1ccc(F)c(Br)c1)C1CCC1
InChIInChI=1S/C11H13BrFN/c12-9-6-8(4-5-10(9)13)11(14)7-2-1-3-7/h4-7,11H,1-3,14H2/t11-/m1/s1
InChIKeyUBTWZOSRMXSTAU-LLVKDONJSA-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

(R)-(3-bromo-4-fluorophenyl)-cyclopropylmethanamine
CID 130739408
(R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171201791
(S)-(4-bromo-3-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171221330
(4-bromo-3-chlorophenyl)-cyclobutylmethanamine
CID 112630976
[(3-bromo-4-fluorophenyl)-cyclopentylmethyl]hydrazine
CID 105264024
(R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171209453
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944
(S)-(3-bromo-4-chlorophenyl)-cyclohexylmethanamine
CID 171222570
(S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171222569
(3-chloro-4-fluorophenyl)-cyclohexylmethanamine
CID 63093302
(S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride
CID 171229648
1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine
CID 114457720

Frequently Asked Questions

What is the IUPAC name of (R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine?
The IUPAC name of (R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine (CID 130054470) is (R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine.
What is the SMILES notation for (R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine?
The canonical SMILES for (R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine is N[C@@H](c1ccc(F)c(Br)c1)C1CCC1.
What is the InChIKey of (R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine?
The InChIKey is UBTWZOSRMXSTAU-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13BrFN/c12-9-6-8(4-5-10(9)13)11(14)7-2-1-3-7/h4-7,11H,1-3,14H2/t11-/m1/s1.
What are the key properties of (R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine?
(R)-(3-bromo-4-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 (R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine is sourced from PubChem (CID 130054470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).