(2-bromo-3,4-difluorophenyl)-cyclopentylmethanamine

C12H14BrF2N — CID 103852506

IUPAC(2-bromo-3,4-difluorophenyl)-cyclopentylmethanamine
SMILESNC(c1ccc(F)c(F)c1Br)C1CCCC1
InChIInChI=1S/C12H14BrF2N/c13-10-8(5-6-9(14)11(10)15)12(16)7-3-1-2-4-7/h5-7,12H,1-4,16H2
InChIKeyNELGNGFTXONCRZ-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.92
Rot. Bonds2

About (2-bromo-3,4-difluorophenyl)-cyclopentylmethanamine

(2-bromo-3,4-difluorophenyl)-cyclopentylmethanamine (PubChem CID 103852506) has the molecular formula C12H14BrF2N and a molecular weight of 290.15 g/mol. Its IUPAC name is (2-bromo-3,4-difluorophenyl)-cyclopentylmethanamine.

Molecular Properties

Compound Name(2-bromo-3,4-difluorophenyl)-cyclopentylmethanamine
PubChem CID103852506
Molecular FormulaC12H14BrF2N
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name(2-bromo-3,4-difluorophenyl)-cyclopentylmethanamine
SMILESNC(c1ccc(F)c(F)c1Br)C1CCCC1
InChIInChI=1S/C12H14BrF2N/c13-10-8(5-6-9(14)11(10)15)12(16)7-3-1-2-4-7/h5-7,12H,1-4,16H2
InChIKeyNELGNGFTXONCRZ-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-3,4-difluorophenyl)-cyclobutylmethanamine
CID 103852507
(2-bromo-3,4-difluorophenyl)-(4-methylcyclohexyl)methanamine
CID 107538638
(R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
CID 171205794
cycloheptyl-(2,3,4-trifluorophenyl)methanamine
CID 65399083
6-[(S)-amino(cyclopentyl)methyl]-2,3-difluorophenol
CID 131317967
(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 112631047
(R)-(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 131483839
6-[(R)-amino(cyclobutyl)methyl]-2-bromo-3-fluorophenol;hydrochloride
CID 171256976
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739
(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620
(S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine
CID 131551788
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3,4-difluorophenyl)-cyclopentylmethanamine?
The IUPAC name of (2-bromo-3,4-difluorophenyl)-cyclopentylmethanamine (CID 103852506) is (2-bromo-3,4-difluorophenyl)-cyclopentylmethanamine.
What is the SMILES notation for (2-bromo-3,4-difluorophenyl)-cyclopentylmethanamine?
The canonical SMILES for (2-bromo-3,4-difluorophenyl)-cyclopentylmethanamine is NC(c1ccc(F)c(F)c1Br)C1CCCC1.
What is the InChIKey of (2-bromo-3,4-difluorophenyl)-cyclopentylmethanamine?
The InChIKey is NELGNGFTXONCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2N/c13-10-8(5-6-9(14)11(10)15)12(16)7-3-1-2-4-7/h5-7,12H,1-4,16H2.
What are the key properties of (2-bromo-3,4-difluorophenyl)-cyclopentylmethanamine?
(2-bromo-3,4-difluorophenyl)-cyclopentylmethanamine has a molecular weight of 290.15 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3,4-difluorophenyl)-cyclopentylmethanamine is sourced from PubChem (CID 103852506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).