(1S)-1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanamine

C11H13BrFN — CID 131145671

IUPAC(1S)-1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanamine
SMILESN[C@@H](CC1CC1)c1c(F)cccc1Br
InChIInChI=1S/C11H13BrFN/c12-8-2-1-3-9(13)11(8)10(14)6-7-4-5-7/h1-3,7,10H,4-6,14H2/t10-/m0/s1
InChIKeyBVGPNPJOCRVXGB-JTQLQIEISA-N
MW258.13 g/mol
LogP3.39
Rot. Bonds3

About (1S)-1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanamine

(1S)-1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanamine (PubChem CID 131145671) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is (1S)-1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanamine.

Molecular Properties

Compound Name(1S)-1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanamine
PubChem CID131145671
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name(1S)-1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanamine
SMILESN[C@@H](CC1CC1)c1c(F)cccc1Br
InChIInChI=1S/C11H13BrFN/c12-8-2-1-3-9(13)11(8)10(14)6-7-4-5-7/h1-3,7,10H,4-6,14H2/t10-/m0/s1
InChIKeyBVGPNPJOCRVXGB-JTQLQIEISA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

Analyze (1S)-1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanamine 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-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-bromo-6-fluorophenyl)ethanamine
CID 114886837
1-(2-bromo-6-fluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 114886807
1-(3-bromo-2,6-difluorophenyl)-2-cycloheptylethanamine
CID 106944608
(1S)-1-(2-bromo-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 171223217
(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine
CID 131113466
(1S)-1-(2-bromo-6-fluorophenyl)butane-1,4-diamine
CID 171223208
1-(2-bromophenyl)-2-cyclopropylethanamine
CID 64906387
(3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171223240
(1R)-1-(2-chloro-3,6-difluorophenyl)-2-cyclopropylethanamine;hydrochloride
CID 171209353
2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol
CID 130061799
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 114886632

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanamine?
The IUPAC name of (1S)-1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanamine (CID 131145671) is (1S)-1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanamine.
What is the SMILES notation for (1S)-1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanamine?
The canonical SMILES for (1S)-1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanamine is N[C@@H](CC1CC1)c1c(F)cccc1Br.
What is the InChIKey of (1S)-1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanamine?
The InChIKey is BVGPNPJOCRVXGB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13BrFN/c12-8-2-1-3-9(13)11(8)10(14)6-7-4-5-7/h1-3,7,10H,4-6,14H2/t10-/m0/s1.
What are the key properties of (1S)-1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanamine?
(1S)-1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanamine has a molecular weight of 258.13 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanamine is sourced from PubChem (CID 131145671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).