[1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine

C12H14BrF2N — CID 117468475

IUPAC[1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine
SMILESNCC1(c2ccc(F)c(F)c2Br)CCCC1
InChIInChI=1S/C12H14BrF2N/c13-10-8(3-4-9(14)11(10)15)12(7-16)5-1-2-6-12/h3-4H,1-2,5-7,16H2
InChIKeyCENHIRZHSZEJOE-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.50
Rot. Bonds2

About [1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine

[1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine (PubChem CID 117468475) has the molecular formula C12H14BrF2N and a molecular weight of 290.15 g/mol. Its IUPAC name is [1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine
PubChem CID117468475
Molecular FormulaC12H14BrF2N
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name[1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine
SMILESNCC1(c2ccc(F)c(F)c2Br)CCCC1
InChIInChI=1S/C12H14BrF2N/c13-10-8(3-4-9(14)11(10)15)12(7-16)5-1-2-6-12/h3-4H,1-2,5-7,16H2
InChIKeyCENHIRZHSZEJOE-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine 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

[1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117461259
[1-(2,3,4-trifluorophenyl)cyclopropyl]methanamine
CID 75366182
[1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine
CID 117492969
[1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine
CID 117461246
[1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine
CID 117497247
[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351215
[1-(3-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 117437550
[1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine
CID 117346634
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008
1-(2-bromo-3,4-difluorophenyl)cyclopropan-1-ol
CID 117375069
[1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine
CID 117441687
[1-(2-chloro-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117356566

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine (CID 117468475) is [1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine is NCC1(c2ccc(F)c(F)c2Br)CCCC1.
What is the InChIKey of [1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine?
The InChIKey is CENHIRZHSZEJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2N/c13-10-8(3-4-9(14)11(10)15)12(7-16)5-1-2-6-12/h3-4H,1-2,5-7,16H2.
What are the key properties of [1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine?
[1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine has a molecular weight of 290.15 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117468475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).