(R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine

C11H12BrF2N — CID 131561213

IUPAC(R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine
SMILESN[C@@H](c1c(F)ccc(Br)c1F)C1CCC1
InChIInChI=1S/C11H12BrF2N/c12-7-4-5-8(13)9(10(7)14)11(15)6-2-1-3-6/h4-6,11H,1-3,15H2/t11-/m1/s1
InChIKeyGBAVTOAAVBBWAL-LLVKDONJSA-N
MW276.12 g/mol
LogP3.53
Rot. Bonds2

About (R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine

(R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine (PubChem CID 131561213) has the molecular formula C11H12BrF2N and a molecular weight of 276.12 g/mol. Its IUPAC name is (R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine.

Molecular Properties

Compound Name(R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine
PubChem CID131561213
Molecular FormulaC11H12BrF2N
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name(R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine
SMILESN[C@@H](c1c(F)ccc(Br)c1F)C1CCC1
InChIInChI=1S/C11H12BrF2N/c12-7-4-5-8(13)9(10(7)14)11(15)6-2-1-3-6/h4-6,11H,1-3,15H2/t11-/m1/s1
InChIKeyGBAVTOAAVBBWAL-LLVKDONJSA-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_1', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2,6-difluorophenyl)-(4,4-difluorocyclohexyl)methanamine
CID 106944847
(3-bromo-2,6-difluorophenyl)-(4,4-dimethylcyclohexyl)methanamine
CID 106942605
(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 106944937
(3-bromo-2,6-difluorophenyl)-(thiolan-3-yl)methanamine
CID 106944590
(3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 106942637
(3-bromo-2,6-difluorophenyl)-(4-butylcyclohexyl)methanamine
CID 106944640
2-[(S)-amino(cyclopentyl)methyl]-3-bromo-6-fluorophenol;hydrochloride
CID 171253038
(3-bromo-2,6-difluorophenyl)-(thiolan-2-yl)methanamine
CID 106942888
1-(3-bromo-2,6-difluorophenyl)-2-cycloheptylethanamine
CID 106944608
[1-(3-bromo-2,6-difluorophenyl)-2-cyclobutylethyl]hydrazine
CID 106945539
(S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 130707474
(R)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 55253707

Frequently Asked Questions

What is the IUPAC name of (R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine?
The IUPAC name of (R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine (CID 131561213) is (R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine.
What is the SMILES notation for (R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine?
The canonical SMILES for (R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine is N[C@@H](c1c(F)ccc(Br)c1F)C1CCC1.
What is the InChIKey of (R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine?
The InChIKey is GBAVTOAAVBBWAL-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12BrF2N/c12-7-4-5-8(13)9(10(7)14)11(15)6-2-1-3-6/h4-6,11H,1-3,15H2/t11-/m1/s1.
What are the key properties of (R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine?
(R)-(3-bromo-2,6-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 (R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine is sourced from PubChem (CID 131561213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).